1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea

C17H18F4N4O — CID 118769102

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
SMILESCc1nccn1CC1(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F4N4O/c1-11-22-4-5-25(11)10-16(2-3-16)9-23-15(26)24-14-7-12(17(19,20)21)6-13(18)8-14/h4-8H,2-3,9-10H2,1H3,(H2,23,24,26)
InChIKeyVZIZLKMGZPYOAN-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.95
Rot. Bonds5

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea

1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea (PubChem CID 118769102) has the molecular formula C17H18F4N4O and a molecular weight of 370.35 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
PubChem CID118769102
Molecular FormulaC17H18F4N4O
Molecular Weight370.35 g/mol
Exact Mass370.14
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
SMILESCc1nccn1CC1(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H18F4N4O/c1-11-22-4-5-25(11)10-16(2-3-16)9-23-15(26)24-14-7-12(17(19,20)21)6-13(18)8-14/h4-8H,2-3,9-10H2,1H3,(H2,23,24,26)
InChIKeyVZIZLKMGZPYOAN-UHFFFAOYSA-N
XLogP3.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 72863043
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 72928509
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 97207873
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
CID 131949598
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
1-[(2-methylimidazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 84657338
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
1-[(4-ethylsulfanylphenyl)methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166650200

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea (CID 118769102) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea is Cc1nccn1CC1(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea?
The InChIKey is VZIZLKMGZPYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4O/c1-11-22-4-5-25(11)10-16(2-3-16)9-23-15(26)24-14-7-12(17(19,20)21)6-13(18)8-14/h4-8H,2-3,9-10H2,1H3,(H2,23,24,26).
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea?
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea has a molecular weight of 370.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea is sourced from PubChem (CID 118769102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).