2-amino-3-(4-methylphenyl)benzimidazol-4-ol

Name: 2-amino-3-(4-methylphenyl)benzimidazol-4-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₃N₃O — CID 84799605

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-amino-3-(4-methylphenyl)benzimidazol-4-ol

SMILESCc1ccc(-n2c(N)nc3cccc(O)c32)cc1

InChIInChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16)

InChIKeyIWOATGADWDQXLA-UHFFFAOYSA-N

MW239.28 g/mol

LogP2.62

Rot. Bonds1

About 2-amino-3-(4-methylphenyl)benzimidazol-4-ol

2-amino-3-(4-methylphenyl)benzimidazol-4-ol (PubChem CID 84799605) has the molecular formula C₁₄H₁₃N₃O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-3-(4-methylphenyl)benzimidazol-4-ol.

Molecular Properties

Compound Name	2-amino-3-(4-methylphenyl)benzimidazol-4-ol
PubChem CID	84799605
Molecular Formula	C₁₄H₁₃N₃O
Molecular Weight	239.28 g/mol
Exact Mass	239.11
IUPAC Name	2-amino-3-(4-methylphenyl)benzimidazol-4-ol
SMILES	Cc1ccc(-n2c(N)nc3cccc(O)c32)cc1
InChI	InChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16)
InChIKey	IWOATGADWDQXLA-UHFFFAOYSA-N
XLogP	2.62
TPSA	64.07 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.28
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?

The IUPAC name of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol (CID 84799605) is 2-amino-3-(4-methylphenyl)benzimidazol-4-ol.

What is the SMILES notation for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?

The canonical SMILES for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol is Cc1ccc(-n2c(N)nc3cccc(O)c32)cc1.

What is the InChIKey of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?

The InChIKey is IWOATGADWDQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-5-7-10(8-6-9)17-13-11(16-14(17)15)3-2-4-12(13)18/h2-8,18H,1H3,(H2,15,16).

What are the key properties of 2-amino-3-(4-methylphenyl)benzimidazol-4-ol?

2-amino-3-(4-methylphenyl)benzimidazol-4-ol has a molecular weight of 239.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(4-methylphenyl)benzimidazol-4-ol is sourced from PubChem (CID 84799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 84799605 — identifiers, structure, computed properties (public domain)

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