N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide

C22H19N3O2 — CID 91378305

IUPACN-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4n3O)cc2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-3-6-17(7-4-14)22(26)23-18-10-8-16(9-11-18)21-24-19-12-5-15(2)13-20(19)25(21)27/h3-13,27H,1-2H3,(H,23,26)
InChIKeyLQIAISNPIKSVNB-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.81
Rot. Bonds3

About N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide

N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide (PubChem CID 91378305) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
PubChem CID91378305
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4n3O)cc2)cc1
InChIInChI=1S/C22H19N3O2/c1-14-3-6-17(7-4-14)22(26)23-18-10-8-16(9-11-18)21-24-19-12-5-15(2)13-20(19)25(21)27/h3-13,27H,1-2H3,(H,23,26)
InChIKeyLQIAISNPIKSVNB-UHFFFAOYSA-N
XLogP4.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide 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

4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
CID 11668165
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
CID 68796040
3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
CID 143260939
4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
CID 145498614
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
(E)-N-[4-(6-amino-1-hydroxybenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 89209710
3-(6-ethynyl-3-pyridinyl)-N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]prop-2-enamide
CID 90890049
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide (CID 91378305) is N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4n3O)cc2)cc1.
What is the InChIKey of N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is LQIAISNPIKSVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-3-6-17(7-4-14)22(26)23-18-10-8-16(9-11-18)21-24-19-12-5-15(2)13-20(19)25(21)27/h3-13,27H,1-2H3,(H,23,26).
What are the key properties of N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide?
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 91378305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).