(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide

C30H27N3O — CID 18888922

IUPAC(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O/c34-30(19-17-23-9-2-1-3-10-23)31-20-8-15-29-32-27-13-6-7-14-28(27)33(29)22-24-16-18-25-11-4-5-12-26(25)21-24/h1-7,9-14,16-19,21H,8,15,20,22H2,(H,31,34)/b19-17+
InChIKeyKUVJPXMJVFDWAV-HTXNQAPBSA-N
MW445.57 g/mol
LogP6.00
Rot. Bonds8

About (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide

(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide (PubChem CID 18888922) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
PubChem CID18888922
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O/c34-30(19-17-23-9-2-1-3-10-23)31-20-8-15-29-32-27-13-6-7-14-28(27)33(29)22-24-16-18-25-11-4-5-12-26(25)21-24/h1-7,9-14,16-19,21H,8,15,20,22H2,(H,31,34)/b19-17+
InChIKeyKUVJPXMJVFDWAV-HTXNQAPBSA-N
XLogP6.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843
(Z)-N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986158
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
(Z)-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 16986215
(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992712
(E)-N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888967
(E)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18889027
(E)-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18888991
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
(E)-N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888928
(E)-N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992701
ethyl 2-[2-[3-[[(Z)-3-phenylprop-2-enoyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986212

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide (CID 18888922) is (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide?
The InChIKey is KUVJPXMJVFDWAV-HTXNQAPBSA-N. The full InChI is InChI=1S/C30H27N3O/c34-30(19-17-23-9-2-1-3-10-23)31-20-8-15-29-32-27-13-6-7-14-28(27)33(29)22-24-16-18-25-11-4-5-12-26(25)21-24/h1-7,9-14,16-19,21H,8,15,20,22H2,(H,31,34)/b19-17+.
What are the key properties of (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide?
(E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide has a molecular weight of 445.57 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 18888922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).