2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one

C15H26N2O — CID 19422650

IUPAC2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(CC2CCCCC2)C(=O)N1
InChIInChI=1S/C15H26N2O/c1-3-4-10-13-16-14(18)15(2,17-13)11-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyPOAWICRMZGOANS-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.43
Rot. Bonds5

About 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one

2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one (PubChem CID 19422650) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
PubChem CID19422650
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(CC2CCCCC2)C(=O)N1
InChIInChI=1S/C15H26N2O/c1-3-4-10-13-16-14(18)15(2,17-13)11-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyPOAWICRMZGOANS-UHFFFAOYSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one (CID 19422650) is 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one is CCCCC1=NC(C)(CC2CCCCC2)C(=O)N1.
What is the InChIKey of 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is POAWICRMZGOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-10-13-16-14(18)15(2,17-13)11-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one?
2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 250.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 19422650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).