2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone

C15H13N3O3 — CID 25067486

IUPAC2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CNc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H13N3O3/c19-12-6-5-9(7-13(12)20)14(21)8-16-15-17-10-3-1-2-4-11(10)18-15/h1-7,19-20H,8H2,(H2,16,17,18)
InChIKeyONHOEPQQKCJUSE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.27
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone

2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone (PubChem CID 25067486) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone
PubChem CID25067486
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone
SMILESO=C(CNc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H13N3O3/c19-12-6-5-9(7-13(12)20)14(21)8-16-15-17-10-3-1-2-4-11(10)18-15/h1-7,19-20H,8H2,(H2,16,17,18)
InChIKeyONHOEPQQKCJUSE-UHFFFAOYSA-N
XLogP2.27
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nnc 92-1687
CID 4206177
(2S)-2-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 66552719
1-(3,4-Dihydroxyphenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone
CID 4839003
2-(1-Benzimidazolyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
CID 25067494
CID 25067495
CID 25067495
1-(3,4-Dihydroxyphenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]ethanone
CID 57398293
N-(1H-Benzo[d]imidazol-2-yl)-3,4-dimethoxybenzamide
CID 2095964
1-(3,4-Dimethoxy-phenyl)-2-[2-(2-hydroxy-ethylamino)-benzoimidazol-1-yl]-ethanone
CID 2849622
1-(3,4-Dimethoxy-phenyl)-2-[2-(3-hydroxy-propylamino)-benzoimidazol-1-yl]-ethanone
CID 2850361
2-(5-tert-Butyl-1H-benzoimidazol-2-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone
CID 10360917
4-(1H-benzimidazol-2-ylmethyl)benzene-1,2-diol
CID 15214512
1-(3,4-Dihydroxyphenyl)-2-(5,6-dimethyl-1-benzimidazolyl)ethanone;hydrochloride
CID 25067490

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone (CID 25067486) is 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone is O=C(CNc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone?
The InChIKey is ONHOEPQQKCJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-12-6-5-9(7-13(12)20)14(21)8-16-15-17-10-3-1-2-4-11(10)18-15/h1-7,19-20H,8H2,(H2,16,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone?
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone has a molecular weight of 283.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 25067486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).