1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea

C16H28N4O — CID 110203840

IUPAC1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea
SMILESCCCn1c(C)cnc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H28N4O/c1-3-11-20-13(2)12-18-15(20)9-10-17-16(21)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H2,17,19,21)
InChIKeyMLWFCZCULCRUMH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.78
Rot. Bonds6

About 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea

1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea (PubChem CID 110203840) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea
PubChem CID110203840
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea
SMILESCCCn1c(C)cnc1CCNC(=O)NC1CCCCC1
InChIInChI=1S/C16H28N4O/c1-3-11-20-13(2)12-18-15(20)9-10-17-16(21)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H2,17,19,21)
InChIKeyMLWFCZCULCRUMH-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110747697
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1-cyclopentyl-3-propylurea
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1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
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CID 19575124
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
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1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea (CID 110203840) is 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea is CCCn1c(C)cnc1CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea?
The InChIKey is MLWFCZCULCRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-11-20-13(2)12-18-15(20)9-10-17-16(21)19-14-7-5-4-6-8-14/h12,14H,3-11H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea?
1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea has a molecular weight of 292.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 110203840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).