2-(1-cyclopropylbenzimidazol-5-yl)acetic acid

C12H12N2O2 — CID 82492988

IUPAC2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C12H12N2O2/c15-12(16)6-8-1-4-11-10(5-8)13-7-14(11)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,15,16)
InChIKeyIZKAQIJQDMCMFE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid

2-(1-cyclopropylbenzimidazol-5-yl)acetic acid (PubChem CID 82492988) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
PubChem CID82492988
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C12H12N2O2/c15-12(16)6-8-1-4-11-10(5-8)13-7-14(11)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,15,16)
InChIKeyIZKAQIJQDMCMFE-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
CID 82492930
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
CID 82495016
1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
CID 82499656
N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
CID 96674922
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
1-(3-cyclopropylbenzimidazol-5-yl)ethanone
CID 83880677
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169
2-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42691463
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid (CID 82492988) is 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid is O=C(O)Cc1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid?
The InChIKey is IZKAQIJQDMCMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)6-8-1-4-11-10(5-8)13-7-14(11)9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,15,16).
What are the key properties of 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid?
2-(1-cyclopropylbenzimidazol-5-yl)acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbenzimidazol-5-yl)acetic acid is sourced from PubChem (CID 82492988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).