[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone

C21H16N2O3 — CID 132570584

IUPAC[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nc3ccccc3n2-c2ccc(O)cc2)c1
InChIInChI=1S/C21H16N2O3/c1-26-17-6-4-5-14(13-17)20(25)21-22-18-7-2-3-8-19(18)23(21)15-9-11-16(24)12-10-15/h2-13,24H,1H3
InChIKeyHPAWYBUPMANWFO-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.97
Rot. Bonds4

About [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone

[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 132570584) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
PubChem CID132570584
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2nc3ccccc3n2-c2ccc(O)cc2)c1
InChIInChI=1S/C21H16N2O3/c1-26-17-6-4-5-14(13-17)20(25)21-22-18-7-2-3-8-19(18)23(21)15-9-11-16(24)12-10-15/h2-13,24H,1H3
InChIKeyHPAWYBUPMANWFO-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone 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

2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
CID 142995441
methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
CID 175536518
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 40578944
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
(Z)-4-hydroxy-3-[1-(4-methylphenyl)benzimidazol-2-yl]pent-3-en-2-one
CID 177393111
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone (CID 132570584) is [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2nc3ccccc3n2-c2ccc(O)cc2)c1.
What is the InChIKey of [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is HPAWYBUPMANWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-26-17-6-4-5-14(13-17)20(25)21-22-18-7-2-3-8-19(18)23(21)15-9-11-16(24)12-10-15/h2-13,24H,1H3.
What are the key properties of [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone?
[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 344.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 132570584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).