2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C14H15N3O3 — CID 119185454

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2nc(CNC(=O)C3CC3C(=O)O)[nH]c2c1
InChIInChI=1S/C14H15N3O3/c1-7-2-3-10-11(4-7)17-12(16-10)6-15-13(18)8-5-9(8)14(19)20/h2-4,8-9H,5-6H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWIWNUNMLHSIVIW-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.21
Rot. Bonds4

About 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119185454) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119185454
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc2nc(CNC(=O)C3CC3C(=O)O)[nH]c2c1
InChIInChI=1S/C14H15N3O3/c1-7-2-3-10-11(4-7)17-12(16-10)6-15-13(18)8-5-9(8)14(19)20/h2-4,8-9H,5-6H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWIWNUNMLHSIVIW-UHFFFAOYSA-N
XLogP1.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
1-(4-fluorobenzoyl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 131913033
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80997558
2-amino-3-methoxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propanamide;hydrochloride
CID 120991479
3-methyl-1-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004654
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 131937652
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
(2S,3S)-1-[(2,4-dichlorophenyl)methyl]-3-hydroxy-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 59036027

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119185454) is 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc2nc(CNC(=O)C3CC3C(=O)O)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WIWNUNMLHSIVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-2-3-10-11(4-7)17-12(16-10)6-15-13(18)8-5-9(8)14(19)20/h2-4,8-9H,5-6H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119185454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).