2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

C12H12N2O2 — CID 60792986

IUPAC2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2CC2C(=O)O)nc2ccccc21
InChIInChI=1S/C12H12N2O2/c1-14-10-5-3-2-4-9(10)13-11(14)7-6-8(7)12(15)16/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyLADPMBCUARKVDR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.76
Rot. Bonds2

About 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 60792986) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID60792986
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2CC2C(=O)O)nc2ccccc21
InChIInChI=1S/C12H12N2O2/c1-14-10-5-3-2-4-9(10)13-11(14)7-6-8(7)12(15)16/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyLADPMBCUARKVDR-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60791241
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxamide
CID 86792753
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60783416
cis-(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 51674035
1-methyl-2-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzimidazole
CID 122393773
trans-(1R,2R)-2-(1-methylbenzimidazol-2-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275053
2-(1-methylbenzimidazol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130245175
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 60792986) is 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is Cn1c(C2CC2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LADPMBCUARKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-10-5-3-2-4-9(10)13-11(14)7-6-8(7)12(15)16/h2-5,7-8H,6H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).