3-(1-methylbenzimidazol-2-yl)propanoate

C11H11N2O2- — CID 7036074

IUPAC3-(1-methylbenzimidazol-2-yl)propanoate
SMILESCn1c(CCC(=O)[O-])nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)/p-1
InChIKeyWIKFGRIKIICZOF-UHFFFAOYSA-M
MW203.22 g/mol
LogP0.26
Rot. Bonds3

About 3-(1-methylbenzimidazol-2-yl)propanoate

3-(1-methylbenzimidazol-2-yl)propanoate (PubChem CID 7036074) has the molecular formula C11H11N2O2- and a molecular weight of 203.22 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)propanoate
PubChem CID7036074
Molecular FormulaC11H11N2O2-
Molecular Weight203.22 g/mol
Exact Mass203.08
IUPAC Name3-(1-methylbenzimidazol-2-yl)propanoate
SMILESCn1c(CCC(=O)[O-])nc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)/p-1
InChIKeyWIKFGRIKIICZOF-UHFFFAOYSA-M
XLogP0.26
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
copper;1-methyl-2-(methylsulfinylmethyl)benzimidazole;diacetate
CID 134105261
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 157241684
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)propanoate?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)propanoate (CID 7036074) is 3-(1-methylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)propanoate?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)propanoate is Cn1c(CCC(=O)[O-])nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)propanoate?
The InChIKey is WIKFGRIKIICZOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O2/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)/p-1.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)propanoate?
3-(1-methylbenzimidazol-2-yl)propanoate has a molecular weight of 203.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 7036074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).