2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide

C12H19N3O — CID 36795531

IUPAC2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ccnc2)CC1
InChIInChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)
InChIKeyPKHDTDLLHJFDKS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds3

About 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide

2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide (PubChem CID 36795531) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide
PubChem CID36795531
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2ccnc2)CC1
InChIInChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16)
InChIKeyPKHDTDLLHJFDKS-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide (CID 36795531) is 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2ccnc2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is PKHDTDLLHJFDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-2-4-11(5-3-10)14-12(16)8-15-7-6-13-9-15/h6-7,9-11H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide?
2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 36795531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).