Cas no 105652-39-9 (3,9-diethyltridecan-6-yl Benzimidazole-1-carboxylate)
105652-39-9 structure
Product Name:3,9-diethyltridecan-6-yl Benzimidazole-1-carboxylate
CAS No:105652-39-9
MF:C25H40N2O2
MW:400.5973072052
CID:1158291
PubChem ID:71333704
Update Time:2025-04-20
3,9-diethyltridecan-6-yl Benzimidazole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 3,9-diethyltridecan-6-yl Benzimidazole-1-carboxylate
- 105652-39-9
- 3,9-Diethyltridecan-6-yl 1H-benzimidazole-1-carboxylate
- DTXSID90761916
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- Inchi: 1S/C25H40N2O2/c1-5-9-12-21(8-4)16-18-22(17-15-20(6-2)7-3)29-25(28)27-19-26-23-13-10-11-14-24(23)27/h10-11,13-14,19-22H,5-9,12,15-18H2,1-4H3
- InChI Key: YTZULRUROIPQIM-UHFFFAOYSA-N
- SMILES: O(C(N1C=NC2C=CC=CC1=2)=O)C(CCC(CC)CC)CCC(CC)CCCC
Computed Properties
- Exact Mass: 400.308978523g/mol
- Monoisotopic Mass: 400.308978523g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 14
- Complexity: 452
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 44.1?2
3,9-diethyltridecan-6-yl Benzimidazole-1-carboxylate Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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