(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

C18H17N3O — CID 732149

IUPAC(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,19,22)(H,20,21)/b11-10+
InChIKeyDPWOQDMHZNVSPQ-ZHACJKMWSA-N
MW291.35 g/mol
LogP2.93
Rot. Bonds5

About (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 732149) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID732149
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,19,22)(H,20,21)/b11-10+
InChIKeyDPWOQDMHZNVSPQ-ZHACJKMWSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 732149) is (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is DPWOQDMHZNVSPQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,19,22)(H,20,21)/b11-10+.
What are the key properties of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 732149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).