1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea

C16H28N4O — CID 121497010

IUPAC1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea
SMILESCN(Cc1ncc[nH]1)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H28N4O/c1-15(2)8-12(9-16(3,4)11-15)19-14(21)20(5)10-13-17-6-7-18-13/h6-7,12H,8-11H2,1-5H3,(H,17,18)(H,19,21)
InChIKeyACCOCNLYKCVMIB-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.16
Rot. Bonds3

About 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea

1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea (PubChem CID 121497010) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea
PubChem CID121497010
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea
SMILESCN(Cc1ncc[nH]1)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H28N4O/c1-15(2)8-12(9-16(3,4)11-15)19-14(21)20(5)10-13-17-6-7-18-13/h6-7,12H,8-11H2,1-5H3,(H,17,18)(H,19,21)
InChIKeyACCOCNLYKCVMIB-UHFFFAOYSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylcyclohexylimidazole
CID 54380176
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
1-[(1S)-1-cyclohexylethyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 97583725
3-[[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 121501755
N-(1H-imidazol-2-ylmethyl)-N'-[(1-isobutylcyclobutyl)methyl]-N-methylurea
CID 122559126
N'-[1-(2,2-dimethylpropyl)cyclopropyl]-N-(1H-imidazol-2-ylmethyl)-N-methylurea
CID 124214407
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]urea
CID 164635369
1-cyclohexyl-3-(2-(2-methyl-1H-imidazol-1-yl)ethyl)urea
CID 49633477
1-(1-adamantyl)-3-[3-(1H-imidazol-3-ium-3-yl)propyl]urea
CID 122707110
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 71926047
1-[4-(2-Methylimidazol-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 71926048

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea (CID 121497010) is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea is CN(Cc1ncc[nH]1)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea?
The InChIKey is ACCOCNLYKCVMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(2)8-12(9-16(3,4)11-15)19-14(21)20(5)10-13-17-6-7-18-13/h6-7,12H,8-11H2,1-5H3,(H,17,18)(H,19,21).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea?
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea has a molecular weight of 292.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-(3,3,5,5-tetramethylcyclohexyl)urea is sourced from PubChem (CID 121497010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).