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

C18H32N4O2 — CID 84586574

IUPAC1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)(CO)C1CCCCC1
InChIInChI=1S/C18H32N4O2/c1-14(2)12-22-10-9-19-16(22)11-20-17(24)21-18(3,13-23)15-7-5-4-6-8-15/h9-10,14-15,23H,4-8,11-13H2,1-3H3,(H2,20,21,24)
InChIKeyUSKKGPQAXTXTTI-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.67
Rot. Bonds7

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

1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (PubChem CID 84586574) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
PubChem CID84586574
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
SMILESCC(C)Cn1ccnc1CNC(=O)NC(C)(CO)C1CCCCC1
InChIInChI=1S/C18H32N4O2/c1-14(2)12-22-10-9-19-16(22)11-20-17(24)21-18(3,13-23)15-7-5-4-6-8-15/h9-10,14-15,23H,4-8,11-13H2,1-3H3,(H2,20,21,24)
InChIKeyUSKKGPQAXTXTTI-UHFFFAOYSA-N
XLogP2.67
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea with MolForge

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Related Compounds

1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 97054799
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(oxan-3-yl)urea
CID 75423072
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
1-[(2R)-1-hydroxypropan-2-yl]-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 95965670
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 97320279
1-cyclohexyl-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111770752
1-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892622
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
1-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 71909925
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 129399470
(5R)-5-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 99827557
3-amino-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 119892665

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea (CID 84586574) is 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is CC(C)Cn1ccnc1CNC(=O)NC(C)(CO)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
The InChIKey is USKKGPQAXTXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(2)12-22-10-9-19-16(22)11-20-17(24)21-18(3,13-23)15-7-5-4-6-8-15/h9-10,14-15,23H,4-8,11-13H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea?
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 84586574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).