(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide

C24H20ClN3O — CID 16970778

IUPAC(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H20ClN3O/c25-20-11-5-4-10-19(20)17-28-22-13-7-6-12-21(22)27-23(28)16-26-24(29)15-14-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,29)/b15-14-
InChIKeyRMCNJBARQGIJHN-PFONDFGASA-N
MW401.90 g/mol
LogP5.07
Rot. Bonds6

About (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide

(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 16970778) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
PubChem CID16970778
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H20ClN3O/c25-20-11-5-4-10-19(20)17-28-22-13-7-6-12-21(22)27-23(28)16-26-24(29)15-14-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,29)/b15-14-
InChIKeyRMCNJBARQGIJHN-PFONDFGASA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.07
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-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970787
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970750
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
(E)-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18888991
(E)-N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992701
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 85141126

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide (CID 16970778) is (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is RMCNJBARQGIJHN-PFONDFGASA-N. The full InChI is InChI=1S/C24H20ClN3O/c25-20-11-5-4-10-19(20)17-28-22-13-7-6-12-21(22)27-23(28)16-26-24(29)15-14-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,26,29)/b15-14-.
What are the key properties of (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 401.90 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16970778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).