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

C12H12N2O2 — CID 83857720

IUPAC1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc2nc(C3(C(=O)O)CC3)[nH]c2c1
InChIInChI=1S/C12H12N2O2/c1-7-2-3-8-9(6-7)14-10(13-8)12(4-5-12)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSFNEDVBHPYEIF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds2

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

1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 83857720) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID83857720
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccc2nc(C3(C(=O)O)CC3)[nH]c2c1
InChIInChI=1S/C12H12N2O2/c1-7-2-3-8-9(6-7)14-10(13-8)12(4-5-12)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyFSFNEDVBHPYEIF-UHFFFAOYSA-N
XLogP1.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
ethyl 1-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480049
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 63708519
1-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79646456
ethyl 1-(6-hydroxy-1H-benzimidazol-2-yl)cyclohexane-1-carboxylate
CID 81431080
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350
2-methyl-1-[(3S)-3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 126543000
N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 21348038
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 83857720) is 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid is Cc1ccc2nc(C3(C(=O)O)CC3)[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FSFNEDVBHPYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-2-3-8-9(6-7)14-10(13-8)12(4-5-12)11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid?
1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).