4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide

C23H22N4O2 — CID 11668165

IUPAC4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
SMILESCc1ccc2c(c1)nc(-c1ccc(NC(=O)c3ccc(N(C)C)cc3)cc1)n2O
InChIInChI=1S/C23H22N4O2/c1-15-4-13-21-20(14-15)25-22(27(21)29)16-5-9-18(10-6-16)24-23(28)17-7-11-19(12-8-17)26(2)3/h4-14,29H,1-3H3,(H,24,28)
InChIKeyOHGSVOZBHPLNDF-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.57
Rot. Bonds4

About 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide

4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide (PubChem CID 11668165) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
PubChem CID11668165
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
SMILESCc1ccc2c(c1)nc(-c1ccc(NC(=O)c3ccc(N(C)C)cc3)cc1)n2O
InChIInChI=1S/C23H22N4O2/c1-15-4-13-21-20(14-15)25-22(27(21)29)16-5-9-18(10-6-16)24-23(28)17-7-11-19(12-8-17)26(2)3/h4-14,29H,1-3H3,(H,24,28)
InChIKeyOHGSVOZBHPLNDF-UHFFFAOYSA-N
XLogP4.57
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
4-(dimethylamino)-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 45137441
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
CID 145498614
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide (CID 11668165) is 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide is Cc1ccc2c(c1)nc(-c1ccc(NC(=O)c3ccc(N(C)C)cc3)cc1)n2O.
What is the InChIKey of 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide?
The InChIKey is OHGSVOZBHPLNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-4-13-21-20(14-15)25-22(27(21)29)16-5-9-18(10-6-16)24-23(28)17-7-11-19(12-8-17)26(2)3/h4-14,29H,1-3H3,(H,24,28).
What are the key properties of 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide?
4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 11668165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).