1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile

C15H21N3O — CID 79127804

IUPAC1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)c2cncn2C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-11-4-6-15(9-16,7-5-11)14(19)13-8-17-10-18(13)12-2-3-12/h8,10-12,14,19H,2-7H2,1H3
InChIKeyYVLIGSNHZNDUBZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds3

About 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile

1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile (PubChem CID 79127804) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
PubChem CID79127804
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(C(O)c2cncn2C2CC2)CC1
InChIInChI=1S/C15H21N3O/c1-11-4-6-15(9-16,7-5-11)14(19)13-8-17-10-18(13)12-2-3-12/h8,10-12,14,19H,2-7H2,1H3
InChIKeyYVLIGSNHZNDUBZ-UHFFFAOYSA-N
XLogP2.97
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile (CID 79127804) is 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)(C(O)c2cncn2C2CC2)CC1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is YVLIGSNHZNDUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-6-15(9-16,7-5-11)14(19)13-8-17-10-18(13)12-2-3-12/h8,10-12,14,19H,2-7H2,1H3.
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile?
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79127804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).