1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile

C15H23N3O — CID 79128792

IUPAC1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(O)c2cncn2C)CC1
InChIInChI=1S/C15H23N3O/c1-3-4-12-5-7-15(10-16,8-6-12)14(19)13-9-17-11-18(13)2/h9,11-12,14,19H,3-8H2,1-2H3
InChIKeyJACBANXPCLPGNN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.95
Rot. Bonds4

About 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile

1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 79128792) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile
PubChem CID79128792
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(C(O)c2cncn2C)CC1
InChIInChI=1S/C15H23N3O/c1-3-4-12-5-7-15(10-16,8-6-12)14(19)13-9-17-11-18(13)2/h9,11-12,14,19H,3-8H2,1-2H3
InChIKeyJACBANXPCLPGNN-UHFFFAOYSA-N
XLogP2.95
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79126910
1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
CID 79126912
1-[(4-bromophenyl)-hydroxymethyl]-4-propylcyclohexane-1-carbonitrile
CID 79136386
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79127804
1-[(2-chlorophenyl)-hydroxymethyl]-4-propylcyclohexane-1-carbonitrile
CID 79137122
1-(1-hydroxy-2-phenylethyl)-4-propylcyclohexane-1-carbonitrile
CID 79131701
1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
CID 79132042
1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 103573501
3-[(3-ethylimidazol-4-yl)-hydroxymethyl]oxolane-3-carbonitrile
CID 79127086
1-[hydroxy-(3-propan-2-ylimidazol-4-yl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 79127087
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79129018
3-cyclopropyl-1-(3-propylimidazol-4-yl)propan-1-ol
CID 106590500

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile (CID 79128792) is 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(C(O)c2cncn2C)CC1.
What is the InChIKey of 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is JACBANXPCLPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-4-12-5-7-15(10-16,8-6-12)14(19)13-9-17-11-18(13)2/h9,11-12,14,19H,3-8H2,1-2H3.
What are the key properties of 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79128792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).