2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

C12H11ClN2O2 — CID 60791241

IUPAC2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2CC2C(=O)O)nc2cccc(Cl)c21
InChIInChI=1S/C12H11ClN2O2/c1-15-10-8(13)3-2-4-9(10)14-11(15)6-5-7(6)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyLIMXLSCZUPWGAQ-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.41
Rot. Bonds2

About 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 60791241) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID60791241
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2CC2C(=O)O)nc2cccc(Cl)c21
InChIInChI=1S/C12H11ClN2O2/c1-15-10-8(13)3-2-4-9(10)14-11(15)6-5-7(6)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17)
InChIKeyLIMXLSCZUPWGAQ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
7-chloro-2-(4-methoxypyrrolidin-2-yl)-1-methylbenzimidazole
CID 60785896
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62933636
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289
1-[(7-chloro-1-methylbenzimidazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010524
3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81455425
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 60791241) is 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is Cn1c(C2CC2C(=O)O)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LIMXLSCZUPWGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15-10-8(13)3-2-4-9(10)14-11(15)6-5-7(6)12(16)17/h2-4,6-7H,5H2,1H3,(H,16,17).
What are the key properties of 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 250.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).