(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone

C13H20N2O — CID 82895467

IUPAC(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
SMILESCC1CCC(C(=O)c2cncn2C)CC1C
InChIInChI=1S/C13H20N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-14-8-15(12)3/h7-11H,4-6H2,1-3H3
InChIKeySNSQLKSLZLFYBU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone

(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 82895467) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
PubChem CID82895467
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
SMILESCC1CCC(C(=O)c2cncn2C)CC1C
InChIInChI=1S/C13H20N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-14-8-15(12)3/h7-11H,4-6H2,1-3H3
InChIKeySNSQLKSLZLFYBU-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone (CID 82895467) is (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone is CC1CCC(C(=O)c2cncn2C)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is SNSQLKSLZLFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-14-8-15(12)3/h7-11H,4-6H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone?
(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 82895467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).