(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide

C22H23N3O2 — CID 24660535

IUPAC(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccccc1C(NC(=O)/C=C/c1cccc(C)c1)c1nccn1C
InChIInChI=1S/C22H23N3O2/c1-16-7-6-8-17(15-16)11-12-20(26)24-21(22-23-13-14-25(22)2)18-9-4-5-10-19(18)27-3/h4-15,21H,1-3H3,(H,24,26)/b12-11+
InChIKeyVZGOIRBOQBADCP-VAWYXSNFSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds6

About (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide

(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 24660535) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID24660535
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccccc1C(NC(=O)/C=C/c1cccc(C)c1)c1nccn1C
InChIInChI=1S/C22H23N3O2/c1-16-7-6-8-17(15-16)11-12-20(26)24-21(22-23-13-14-25(22)2)18-9-4-5-10-19(18)27-3/h4-15,21H,1-3H3,(H,24,26)/b12-11+
InChIKeyVZGOIRBOQBADCP-VAWYXSNFSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55590525
(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
2-cyclohexylidene-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 71886966
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
(Z)-3-(2,6-difluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232728
(Z)-3-(2,6-difluorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232727
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide (CID 24660535) is (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide is COc1ccccc1C(NC(=O)/C=C/c1cccc(C)c1)c1nccn1C.
What is the InChIKey of (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is VZGOIRBOQBADCP-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-6-8-17(15-16)11-12-20(26)24-21(22-23-13-14-25(22)2)18-9-4-5-10-19(18)27-3/h4-15,21H,1-3H3,(H,24,26)/b12-11+.
What are the key properties of (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 24660535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).