trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

C13H14N2O2 — CID 135377773

IUPACtrans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCn1c([C@@H]2C[C@H]2C(=O)O)nc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-2-15-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)/t8-,9-/m1/s1
InChIKeyGDESEIBUXOGWPI-RKDXNWHRSA-N
MW230.27 g/mol
LogP2.24
Rot. Bonds3

About trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 135377773) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID135377773
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nametrans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCCn1c([C@@H]2C[C@H]2C(=O)O)nc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-2-15-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)/t8-,9-/m1/s1
InChIKeyGDESEIBUXOGWPI-RKDXNWHRSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 54918802
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
(3R,4S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166253499
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
trans-(1S,2S)-2-(1-ethylbenzimidazol-2-yl)-N-[(1R)-1-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378321
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 64836666
2-(1-ethyl-5-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60784348
(1S,6R)-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962934
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
(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
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid (CID 135377773) is trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is CCn1c([C@@H]2C[C@H]2C(=O)O)nc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is GDESEIBUXOGWPI-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-15-11-6-4-3-5-10(11)14-12(15)8-7-9(8)13(16)17/h3-6,8-9H,2,7H2,1H3,(H,16,17)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135377773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).