1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

C17H26N4O — CID 56867054

IUPAC1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCCCCc1ncc(-c2nccn2CC2(O)CCCCC2)[nH]1
InChIInChI=1S/C17H26N4O/c1-2-3-7-15-19-12-14(20-15)16-18-10-11-21(16)13-17(22)8-5-4-6-9-17/h10-12,22H,2-9,13H2,1H3,(H,19,20)
InChIKeyLKSHAIUGTMXXKQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.31
Rot. Bonds6

About 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 56867054) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID56867054
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCCCCc1ncc(-c2nccn2CC2(O)CCCCC2)[nH]1
InChIInChI=1S/C17H26N4O/c1-2-3-7-15-19-12-14(20-15)16-18-10-11-21(16)13-17(22)8-5-4-6-9-17/h10-12,22H,2-9,13H2,1H3,(H,19,20)
InChIKeyLKSHAIUGTMXXKQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2'-ethyl-5'-methyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56868611
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
5'-methyl-1-[(1-morpholin-4-ylcyclohexyl)methyl]-1H,3'H-2,4'-biimidazole
CID 56863349
{1-[2-(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)ethyl]piperidin-2-yl}methanol
CID 56867113
1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 63001182
1-[[(3-Methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 63001303
1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63001415
1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932877
3-methyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 63934338
1-[[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 65106927

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (CID 56867054) is 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is CCCCc1ncc(-c2nccn2CC2(O)CCCCC2)[nH]1.
What is the InChIKey of 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is LKSHAIUGTMXXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-3-7-15-19-12-14(20-15)16-18-10-11-21(16)13-17(22)8-5-4-6-9-17/h10-12,22H,2-9,13H2,1H3,(H,19,20).
What are the key properties of 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56867054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).