1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C19H18F3N3O — CID 89260700

IUPAC1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESC=C/C=c1/c(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc/c1=C/N
InChIInChI=1S/C19H18F3N3O/c1-2-4-16-14(11-23)5-3-6-17(16)25-18(26)24-12-13-7-9-15(10-8-13)19(20,21)22/h2-11H,1,12,23H2,(H2,24,25,26)/b14-11-,16-4+
InChIKeyNPYKXENQLGTBPT-ZBQHSBJUSA-N
MW361.37 g/mol
LogP2.69
Rot. Bonds4

About 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 89260700) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID89260700
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESC=C/C=c1/c(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc/c1=C/N
InChIInChI=1S/C19H18F3N3O/c1-2-4-16-14(11-23)5-3-6-17(16)25-18(26)24-12-13-7-9-15(10-8-13)19(20,21)22/h2-11H,1,12,23H2,(H2,24,25,26)/b14-11-,16-4+
InChIKeyNPYKXENQLGTBPT-ZBQHSBJUSA-N
XLogP2.69
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
1-Benzyl-3-cyclohexylurea
CID 544877
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-Benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 790168
4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 599766
N-cyclohexyl-N'-(4-methylbenzyl)urea
CID 840481
1-Cyclohexyl-3-(1-phenylpropyl)urea
CID 6467735
(S)-N-(4-(trifluoromethyl)benzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418511
1-Benzyl-3-[(4-methylphenyl)methyl]urea
CID 2313118
1-Benzyl-3-(3-phenylpropyl)urea
CID 10754392
8-(4-Methylphenyl)imidazo[1,5-a]pyridin-3(2H)-one
CID 13810565

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 89260700) is 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is C=C/C=c1/c(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc/c1=C/N.
What is the InChIKey of 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is NPYKXENQLGTBPT-ZBQHSBJUSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-4-16-14(11-23)5-3-6-17(16)25-18(26)24-12-13-7-9-15(10-8-13)19(20,21)22/h2-11H,1,12,23H2,(H2,24,25,26)/b14-11-,16-4+.
What are the key properties of 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 361.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,6E)-5-(aminomethylidene)-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 89260700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).