1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea

C15H26N4O — CID 122559126

IUPAC1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea
SMILESCC(C)CC1(CNC(=O)N(C)Cc2ncc[nH]2)CCC1
InChIInChI=1S/C15H26N4O/c1-12(2)9-15(5-4-6-15)11-18-14(20)19(3)10-13-16-7-8-17-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyWJIIICWEOADXAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.77
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea

1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea (PubChem CID 122559126) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea
PubChem CID122559126
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea
SMILESCC(C)CC1(CNC(=O)N(C)Cc2ncc[nH]2)CCC1
InChIInChI=1S/C15H26N4O/c1-12(2)9-15(5-4-6-15)11-18-14(20)19(3)10-13-16-7-8-17-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyWJIIICWEOADXAW-UHFFFAOYSA-N
XLogP2.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea with MolForge

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 71851037
1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine
CID 71920250
1-Methylcyclohexylimidazole
CID 54380176
1-(4-Imidazol-1-ylbutyl)-3-[(1-methylcyclopentyl)methyl]urea
CID 56784395
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-N-(cyclohexylmethyl)-1-piperidinecarboxamide
CID 72882718
1-[(1S)-1-cyclohexylethyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 97583725
N-(1H-imidazol-2-ylmethyl)-N-methyl-N'-(3,3,5,5-tetramethylcyclohexyl)urea
CID 121497010
3-[[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 121501755
N'-[1-(2,2-dimethylpropyl)cyclopropyl]-N-(1H-imidazol-2-ylmethyl)-N-methylurea
CID 124214407
1-(1H-imidazol-2-yl)-4-(spiro[3.3]heptan-2-ylmethyl)piperazine
CID 137956814
[(4S)-4-tert-butylazepan-1-yl]-(1H-imidazol-2-yl)methanone
CID 164633491

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea (CID 122559126) is 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea is CC(C)CC1(CNC(=O)N(C)Cc2ncc[nH]2)CCC1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea?
The InChIKey is WJIIICWEOADXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)9-15(5-4-6-15)11-18-14(20)19(3)10-13-16-7-8-17-13/h7-8,12H,4-6,9-11H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea?
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[[1-(2-methylpropyl)cyclobutyl]methyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.77, 6 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-[[1-(2-methylpropyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 122559126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).