Cas no 144186-69-6 (1H-Benzimidazole-1-propanoic acid methyl ester)
144186-69-6 structure
Product Name:1H-Benzimidazole-1-propanoic acid methyl ester
CAS No:144186-69-6
MF:C11H12N2O2
MW:204.225182533264
CID:1106179
PubChem ID:10536181
Update Time:2025-04-20
1H-Benzimidazole-1-propanoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-propanoic acid methyl ester
- NOIRWGDCLMOMJK-UHFFFAOYSA-N
- STK934827
- methyl 3-(1H-benzo[d]imidazol-1-yl)propanoate
- AKOS002677302
- BBL029598
- methyl 3-(1H-1,3-benzodiazol-1-yl)propanoate
- methyl 3-(benzimidazol-1-yl)propanoate
- 144186-69-6
- SCHEMBL3044408
- methyl 3-(1H-benzimidazol-1-yl)propanoate
- CS-0334085
- Methyl 3-(1-Benzimidazolyl)propionate
- VS-09318
-
- Inchi： 1S/C11H12N2O2/c1-15-11(14)6-7-13-8-12-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3
- InChI Key： NOIRWGDCLMOMJK-UHFFFAOYSA-N
- SMILES： O(C)C(CCN1C=NC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 204.089877630g/mol
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 233
- 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: 1.2
- Topological Polar Surface Area: 44.1?2
1H-Benzimidazole-1-propanoic acid methyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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