(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide

C19H17N3O — CID 69488579

IUPAC(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17N3O/c23-19(11-8-16-4-2-1-3-5-16)21-18-9-6-17(7-10-18)14-22-13-12-20-15-22/h1-13,15H,14H2,(H,21,23)/b11-8-
InChIKeyWTMKFFJRSPWCEA-FLIBITNWSA-N
MW303.37 g/mol
LogP3.58
Rot. Bonds5

About (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide

(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 69488579) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID69488579
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H17N3O/c23-19(11-8-16-4-2-1-3-5-16)21-18-9-6-17(7-10-18)14-22-13-12-20-15-22/h1-13,15H,14H2,(H,21,23)/b11-8-
InChIKeyWTMKFFJRSPWCEA-FLIBITNWSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.58
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

(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 38112276
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
4-(imidazol-1-ylmethyl)-N-(2-phenylethenyl)benzamide
CID 174355891
benzaldehyde;1-benzylimidazole
CID 23446402
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 86977849
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 24650019
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide (CID 69488579) is (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)Nc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is WTMKFFJRSPWCEA-FLIBITNWSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(11-8-16-4-2-1-3-5-16)21-18-9-6-17(7-10-18)14-22-13-12-20-15-22/h1-13,15H,14H2,(H,21,23)/b11-8-.
What are the key properties of (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide?
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 69488579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).