1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile

C15H23N3O — CID 79126912

IUPAC1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
SMILESCCCn1cncc1C(O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H23N3O/c1-2-9-18-12-17-10-13(18)14(19)15(11-16)7-5-3-4-6-8-15/h10,12,14,19H,2-9H2,1H3
InChIKeyREUJHSCNFOMEAH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds4

About 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile

1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile (PubChem CID 79126912) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
PubChem CID79126912
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile
SMILESCCCn1cncc1C(O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H23N3O/c1-2-9-18-12-17-10-13(18)14(19)15(11-16)7-5-3-4-6-8-15/h10,12,14,19H,2-9H2,1H3
InChIKeyREUJHSCNFOMEAH-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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
3-[(3-ethylimidazol-4-yl)-hydroxymethyl]oxolane-3-carbonitrile
CID 79127086
1-[hydroxy-(3-methylimidazol-4-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 79128792
2-amino-2-(3-propylimidazol-4-yl)acetonitrile
CID 66130812
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 114558118
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 114558116
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
2-bromo-2-(3-propylimidazol-4-yl)acetonitrile
CID 83085488
1-[(1,3-dimethylpyrazol-4-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 83094355
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
1-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile
CID 79127804

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile (CID 79126912) is 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile is CCCn1cncc1C(O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile?
The InChIKey is REUJHSCNFOMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-9-18-12-17-10-13(18)14(19)15(11-16)7-5-3-4-6-8-15/h10,12,14,19H,2-9H2,1H3.
What are the key properties of 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile?
1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(3-propylimidazol-4-yl)methyl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 79126912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).