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

C26H23N3O — CID 16970796

IUPAC(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C26H23N3O/c30-26(18-17-22-12-5-2-6-13-22)27-20-25-28-23-15-7-8-16-24(23)29(25)19-9-14-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,27,30)/b14-9+,18-17-
InChIKeyWQRAAVZEMLAISD-QPYPEQPVSA-N
MW393.49 g/mol
LogP5.08
Rot. Bonds7

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

(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide (PubChem CID 16970796) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
PubChem CID16970796
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C26H23N3O/c30-26(18-17-22-12-5-2-6-13-22)27-20-25-28-23-15-7-8-16-24(23)29(25)19-9-14-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,27,30)/b14-9+,18-17-
InChIKeyWQRAAVZEMLAISD-QPYPEQPVSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
(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
(Z)-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970879
N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974027
(Z)-N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970846
(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970769
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide (CID 16970796) is (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide is O=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is WQRAAVZEMLAISD-QPYPEQPVSA-N. The full InChI is InChI=1S/C26H23N3O/c30-26(18-17-22-12-5-2-6-13-22)27-20-25-28-23-15-7-8-16-24(23)29(25)19-9-14-21-10-3-1-4-11-21/h1-18H,19-20H2,(H,27,30)/b14-9+,18-17-.
What are the key properties of (Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide?
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 5.08, 7 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-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 16970796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).