(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide

C22H20F3N3O2 — CID 56508380

IUPAC(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide
SMILESCOc1ccc(C(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)c2nccn2C)cc1
InChIInChI=1S/C22H20F3N3O2/c1-28-13-12-26-21(28)20(16-8-10-17(30-2)11-9-16)27-19(29)14-18(22(23,24)25)15-6-4-3-5-7-15/h3-14,20H,1-2H3,(H,27,29)/b18-14-
InChIKeyJYRTYJLDYMAMCS-JXAWBTAJSA-N
MW415.42 g/mol
LogP4.28
Rot. Bonds6

About (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide

(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide (PubChem CID 56508380) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide
PubChem CID56508380
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide
SMILESCOc1ccc(C(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)c2nccn2C)cc1
InChIInChI=1S/C22H20F3N3O2/c1-28-13-12-26-21(28)20(16-8-10-17(30-2)11-9-16)27-19(29)14-18(22(23,24)25)15-6-4-3-5-7-15/h3-14,20H,1-2H3,(H,27,29)/b18-14-
InChIKeyJYRTYJLDYMAMCS-JXAWBTAJSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.28
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

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
CID 55911891
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide?
The IUPAC name of (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide (CID 56508380) is (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide is COc1ccc(C(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)c2nccn2C)cc1.
What is the InChIKey of (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide?
The InChIKey is JYRTYJLDYMAMCS-JXAWBTAJSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-28-13-12-26-21(28)20(16-8-10-17(30-2)11-9-16)27-19(29)14-18(22(23,24)25)15-6-4-3-5-7-15/h3-14,20H,1-2H3,(H,27,29)/b18-14-.
What are the key properties of (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide?
(Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide has a molecular weight of 415.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 56508380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).