2-(2-anilinobenzimidazol-1-yl)acetic acid

C15H13N3O2 — CID 15944452

IUPAC2-(2-anilinobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,19,20)
InChIKeyPBIJUNIMRWMRPW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-anilinobenzimidazol-1-yl)acetic acid

2-(2-anilinobenzimidazol-1-yl)acetic acid (PubChem CID 15944452) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(2-anilinobenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-anilinobenzimidazol-1-yl)acetic acid
PubChem CID15944452
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(2-anilinobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,19,20)
InChIKeyPBIJUNIMRWMRPW-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
2-(2-hydrazinylbenzimidazol-1-yl)acetic acid
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2-[2-(1H-pyrrol-2-ylamino)benzimidazol-1-yl]acetic acid
CID 115144069
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
CID 43248585
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinobenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-anilinobenzimidazol-1-yl)acetic acid (CID 15944452) is 2-(2-anilinobenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-anilinobenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-anilinobenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(Nc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-anilinobenzimidazol-1-yl)acetic acid?
The InChIKey is PBIJUNIMRWMRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)10-18-13-9-5-4-8-12(13)17-15(18)16-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)(H,19,20).
What are the key properties of 2-(2-anilinobenzimidazol-1-yl)acetic acid?
2-(2-anilinobenzimidazol-1-yl)acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinobenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 15944452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).