2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

C13H13BrN2O2 — CID 54918802

IUPAC2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCn1c(C2CC2C(=O)O)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-2-16-11-4-3-7(14)5-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,17,18)
InChIKeyZBFGDCVSSXPJAE-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 54918802) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID54918802
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCn1c(C2CC2C(=O)O)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-2-16-11-4-3-7(14)5-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,17,18)
InChIKeyZBFGDCVSSXPJAE-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.01
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
5-bromo-1-ethyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
CID 55230910
2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60784348
(1S,6R)-6-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962914
2-[1-ethyl-5-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)benzimidazol-2-yl]cyclopropane-1-carboxylic acid
CID 16723133
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
(1S,6R)-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962934
5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
2-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391706

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 54918802) is 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is CCn1c(C2CC2C(=O)O)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZBFGDCVSSXPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-16-11-4-3-7(14)5-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,17,18).
What are the key properties of 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 309.16 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54918802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).