3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid

C15H13N3O2 — CID 82358949

IUPAC3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
SMILESNc1nc2ccccc2n1Cc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13N3O2/c16-15-17-12-6-1-2-7-13(12)18(15)9-10-4-3-5-11(8-10)14(19)20/h1-8H,9H2,(H2,16,17)(H,19,20)
InChIKeyRLJSKEVIGPNAMN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.37
Rot. Bonds3

About 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid

3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 82358949) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
PubChem CID82358949
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
SMILESNc1nc2ccccc2n1Cc1cccc(C(=O)O)c1
InChIInChI=1S/C15H13N3O2/c16-15-17-12-6-1-2-7-13(12)18(15)9-10-4-3-5-11(8-10)14(19)20/h1-8H,9H2,(H2,16,17)(H,19,20)
InChIKeyRLJSKEVIGPNAMN-UHFFFAOYSA-N
XLogP2.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
3-[[2-(methylamino)benzimidazol-1-yl]methyl]benzoic acid
CID 82359443
3-[[3-[3-[2-(2-aminobenzimidazol-1-yl)ethyl]phenyl]-6-oxopyridazin-1-yl]methyl]benzoic acid
CID 118600049
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CID 174769855
3-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid
CID 70881430
2-[(3-acetylphenyl)methyl]-6-[3-[(2-aminobenzimidazol-1-yl)methyl]phenyl]pyridazin-3-one
CID 129155802
3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
CID 71942268
3-[(4-amino-2-ethylbenzimidazol-1-yl)methyl]benzoic acid
CID 82067236
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzenecarbothioamide
CID 82032157
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CID 110899899

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid (CID 82358949) is 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid is Nc1nc2ccccc2n1Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is RLJSKEVIGPNAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15-17-12-6-1-2-7-13(12)18(15)9-10-4-3-5-11(8-10)14(19)20/h1-8H,9H2,(H2,16,17)(H,19,20).
What are the key properties of 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid?
3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 82358949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).