Cas no 40608-77-3 (2-(4-pyridinylmethyl)-1H-Benzimidazole)
40608-77-3 structure
Product Name:2-(4-pyridinylmethyl)-1H-Benzimidazole
CAS No:40608-77-3
MF:C13H11N3
MW:209.246542215347
CID:925966
PubChem ID:262415
Update Time:2025-04-19
2-(4-pyridinylmethyl)-1H-Benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-pyridinylmethyl)-1H-Benzimidazole
- 2-(pyridin-4-ylmethyl)-1H-benzimidazole
- 2-(4-pyridylmethyl)-1H-benzimidazole
- 2-(4-pyridylmethyl)benzimidazole
- 2-pyridin-4-ylmethyl-1H-benzoimidazole
- AC1L67FX
- AC1Q4WTS
- AR-1C9851
- CTK4I3424
- NCIOpen2_006103
- NSC95894
- SureCN9376689
- NSC 95894
- 40608-77-3
- KUZZQNHNDBQAJO-UHFFFAOYSA-N
- NSC-95894
- SCHEMBL9376689
- DTXSID60294342
- CHEMBL3954980
-
- Inchi: 1S/C13H11N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-8H,9H2,(H,15,16)
- InChI Key: KUZZQNHNDBQAJO-UHFFFAOYSA-N
- SMILES: N1C2C=CC=CC=2N=C1CC1C=CN=CC=1
Computed Properties
- Exact Mass: 209.09543
- Monoisotopic Mass: 209.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.57
- LogP: 2.54870
2-(4-pyridinylmethyl)-1H-Benzimidazole Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
40608-77-3 (2-(4-pyridinylmethyl)-1H-Benzimidazole) Related Products
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