6-cyclohexyl-1-imidazol-1-ylhexan-2-one

C15H24N2O — CID 57292403

IUPAC6-cyclohexyl-1-imidazol-1-ylhexan-2-one
SMILESO=C(CCCCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C15H24N2O/c18-15(12-17-11-10-16-13-17)9-5-4-8-14-6-2-1-3-7-14/h10-11,13-14H,1-9,12H2
InChIKeyPCPGVPWVCLKUQL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.59
Rot. Bonds7

About 6-cyclohexyl-1-imidazol-1-ylhexan-2-one

6-cyclohexyl-1-imidazol-1-ylhexan-2-one (PubChem CID 57292403) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-cyclohexyl-1-imidazol-1-ylhexan-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-imidazol-1-ylhexan-2-one
PubChem CID57292403
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name6-cyclohexyl-1-imidazol-1-ylhexan-2-one
SMILESO=C(CCCCC1CCCCC1)Cn1ccnc1
InChIInChI=1S/C15H24N2O/c18-15(12-17-11-10-16-13-17)9-5-4-8-14-6-2-1-3-7-14/h10-11,13-14H,1-9,12H2
InChIKeyPCPGVPWVCLKUQL-UHFFFAOYSA-N
XLogP3.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-imidazol-1-ylhexan-2-one?
The IUPAC name of 6-cyclohexyl-1-imidazol-1-ylhexan-2-one (CID 57292403) is 6-cyclohexyl-1-imidazol-1-ylhexan-2-one.
What is the SMILES notation for 6-cyclohexyl-1-imidazol-1-ylhexan-2-one?
The canonical SMILES for 6-cyclohexyl-1-imidazol-1-ylhexan-2-one is O=C(CCCCC1CCCCC1)Cn1ccnc1.
What is the InChIKey of 6-cyclohexyl-1-imidazol-1-ylhexan-2-one?
The InChIKey is PCPGVPWVCLKUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(12-17-11-10-16-13-17)9-5-4-8-14-6-2-1-3-7-14/h10-11,13-14H,1-9,12H2.
What are the key properties of 6-cyclohexyl-1-imidazol-1-ylhexan-2-one?
6-cyclohexyl-1-imidazol-1-ylhexan-2-one has a molecular weight of 248.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-imidazol-1-ylhexan-2-one is sourced from PubChem (CID 57292403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).