(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide

C25H23N3O — CID 16970769

IUPAC(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESCC(c1ccccc1)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H23N3O/c1-19(21-12-6-3-7-13-21)28-23-15-9-8-14-22(23)27-24(28)18-26-25(29)17-16-20-10-4-2-5-11-20/h2-17,19H,18H2,1H3,(H,26,29)/b17-16-
InChIKeyNYVBMBNCHMMMTQ-MSUUIHNZSA-N
MW381.48 g/mol
LogP4.98
Rot. Bonds6

About (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide

(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide (PubChem CID 16970769) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
PubChem CID16970769
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
SMILESCC(c1ccccc1)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H23N3O/c1-19(21-12-6-3-7-13-21)28-23-15-9-8-14-22(23)27-24(28)18-26-25(29)17-16-20-10-4-2-5-11-20/h2-17,19H,18H2,1H3,(H,26,29)/b17-16-
InChIKeyNYVBMBNCHMMMTQ-MSUUIHNZSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-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

N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
(Z)-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970879
(E)-N-[5-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992830
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
(Z)-N-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970787
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970778
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
(E)-N-[2-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18888810

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide (CID 16970769) is (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide is CC(c1ccccc1)n1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21.
What is the InChIKey of (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is NYVBMBNCHMMMTQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C25H23N3O/c1-19(21-12-6-3-7-13-21)28-23-15-9-8-14-22(23)27-24(28)18-26-25(29)17-16-20-10-4-2-5-11-20/h2-17,19H,18H2,1H3,(H,26,29)/b17-16-.
What are the key properties of (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide?
(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 16970769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).