(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide

C27H25N3O2 — CID 16986215

IUPAC(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C27H25N3O2/c31-25(22-12-5-2-6-13-22)20-30-24-15-8-7-14-23(24)29-26(30)16-9-19-28-27(32)18-17-21-10-3-1-4-11-21/h1-8,10-15,17-18H,9,16,19-20H2,(H,28,32)/b18-17-
InChIKeyCMOZGQIQVLGUDF-ZCXUNETKSA-N
MW423.52 g/mol
LogP4.68
Rot. Bonds9

About (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide

(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide (PubChem CID 16986215) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
PubChem CID16986215
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C27H25N3O2/c31-25(22-12-5-2-6-13-22)20-30-24-15-8-7-14-23(24)29-26(30)16-9-19-28-27(32)18-17-21-10-3-1-4-11-21/h1-8,10-15,17-18H,9,16,19-20H2,(H,28,32)/b18-17-
InChIKeyCMOZGQIQVLGUDF-ZCXUNETKSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[3-[[(Z)-3-phenylprop-2-enoyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986212
(Z)-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986199
(E)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18889027
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
(E)-N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992812
(E)-N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888967
(Z)-N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986216
(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888922
(E)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992815
2-methyl-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16987013
(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide (CID 16986215) is (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide?
The InChIKey is CMOZGQIQVLGUDF-ZCXUNETKSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-25(22-12-5-2-6-13-22)20-30-24-15-8-7-14-23(24)29-26(30)16-9-19-28-27(32)18-17-21-10-3-1-4-11-21/h1-8,10-15,17-18H,9,16,19-20H2,(H,28,32)/b18-17-.
What are the key properties of (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide?
(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide has a molecular weight of 423.52 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16986215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).