[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol

C16H24N4O — CID 155909972

IUPAC[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESCc1nc(-c2nccn2CC2CCC(CO)CC2)cn1C
InChIInChI=1S/C16H24N4O/c1-12-18-15(10-19(12)2)16-17-7-8-20(16)9-13-3-5-14(11-21)6-4-13/h7-8,10,13-14,21H,3-6,9,11H2,1-2H3
InChIKeyICBHGDXXXZEDQM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds4

About [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol

[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol (PubChem CID 155909972) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol
PubChem CID155909972
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESCc1nc(-c2nccn2CC2CCC(CO)CC2)cn1C
InChIInChI=1S/C16H24N4O/c1-12-18-15(10-19(12)2)16-17-7-8-20(16)9-13-3-5-14(11-21)6-4-13/h7-8,10,13-14,21H,3-6,9,11H2,1-2H3
InChIKeyICBHGDXXXZEDQM-UHFFFAOYSA-N
XLogP2.39
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol (CID 155909972) is [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol is Cc1nc(-c2nccn2CC2CCC(CO)CC2)cn1C.
What is the InChIKey of [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol?
The InChIKey is ICBHGDXXXZEDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-18-15(10-19(12)2)16-17-7-8-20(16)9-13-3-5-14(11-21)6-4-13/h7-8,10,13-14,21H,3-6,9,11H2,1-2H3.
What are the key properties of [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol?
[4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 155909972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).