(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide

C23H19N3O — CID 2173445

IUPAC(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C\c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-11-13-18(23-25-19-9-5-6-10-20(19)26-23)15-21(16)24-22(27)14-12-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)(H,25,26)/b14-12-
InChIKeyPVAOHXMRAPYGBQ-OWBHPGMISA-N
MW353.43 g/mol
LogP5.19
Rot. Bonds4

About (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide

(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide (PubChem CID 2173445) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
PubChem CID2173445
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C\c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-11-13-18(23-25-19-9-5-6-10-20(19)26-23)15-21(16)24-22(27)14-12-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)(H,25,26)/b14-12-
InChIKeyPVAOHXMRAPYGBQ-OWBHPGMISA-N
XLogP5.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide 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

(E)-N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17104304
(E)-N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17093112
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
(E)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55555607
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
4-[(E)-3-[2-(1H-benzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002526
2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
CID 3916771

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide (CID 2173445) is (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C\c1ccccc1.
What is the InChIKey of (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide?
The InChIKey is PVAOHXMRAPYGBQ-OWBHPGMISA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-11-13-18(23-25-19-9-5-6-10-20(19)26-23)15-21(16)24-22(27)14-12-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,27)(H,25,26)/b14-12-.
What are the key properties of (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide?
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide has a molecular weight of 353.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 2173445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).