3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid

C13H14N2O2 — CID 82791377

IUPAC3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CC3CCC3)c2c1
InChIInChI=1S/C13H14N2O2/c16-13(17)10-4-5-11-12(6-10)15(8-14-11)7-9-2-1-3-9/h4-6,8-9H,1-3,7H2,(H,16,17)
InChIKeyNRXGEKSZGZTMNW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.53
Rot. Bonds3

About 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid

3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 82791377) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
PubChem CID82791377
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CC3CCC3)c2c1
InChIInChI=1S/C13H14N2O2/c16-13(17)10-4-5-11-12(6-10)15(8-14-11)7-9-2-1-3-9/h4-6,8-9H,1-3,7H2,(H,16,17)
InChIKeyNRXGEKSZGZTMNW-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid (CID 82791377) is 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(CC3CCC3)c2c1.
What is the InChIKey of 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is NRXGEKSZGZTMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)10-4-5-11-12(6-10)15(8-14-11)7-9-2-1-3-9/h4-6,8-9H,1-3,7H2,(H,16,17).
What are the key properties of 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid?
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).