3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one

C17H21N5O — CID 72913868

IUPAC3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(Cc2cncn2C2CCCCC2)c2cnccc21
InChIInChI=1S/C17H21N5O/c1-20-15-7-8-18-10-16(15)21(17(20)23)11-14-9-19-12-22(14)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyGUCSMOSPUSPICC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.48
Rot. Bonds3

About 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one

3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 72913868) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one
PubChem CID72913868
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(Cc2cncn2C2CCCCC2)c2cnccc21
InChIInChI=1S/C17H21N5O/c1-20-15-7-8-18-10-16(15)21(17(20)23)11-14-9-19-12-22(14)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyGUCSMOSPUSPICC-UHFFFAOYSA-N
XLogP2.48
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one (CID 72913868) is 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one is Cn1c(=O)n(Cc2cncn2C2CCCCC2)c2cnccc21.
What is the InChIKey of 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is GUCSMOSPUSPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-20-15-7-8-18-10-16(15)21(17(20)23)11-14-9-19-12-22(14)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3.
What are the key properties of 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one?
3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexylimidazol-4-yl)methyl]-1-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 72913868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).