1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

C16H25F3N4O — CID 71926047

IUPAC1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H25F3N4O/c1-11(2)10-23-7-6-20-14(23)9-21-15(24)22-13-5-3-4-12(8-13)16(17,18)19/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,24)
InChIKeyMEYJCRUJBRQVPE-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.46
Rot. Bonds5

About 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 71926047) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID71926047
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H25F3N4O/c1-11(2)10-23-7-6-20-14(23)9-21-15(24)22-13-5-3-4-12(8-13)16(17,18)19/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,24)
InChIKeyMEYJCRUJBRQVPE-UHFFFAOYSA-N
XLogP3.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 71926047) is 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is CC(C)Cn1ccnc1CNC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is MEYJCRUJBRQVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(2)10-23-7-6-20-14(23)9-21-15(24)22-13-5-3-4-12(8-13)16(17,18)19/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 346.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 71926047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).