[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol

C20H23N3O — CID 155503395

IUPAC[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
SMILESCc1ccc2ncccc2c1-c1nccn1[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C20H23N3O/c1-14-7-8-18-17(6-3-9-21-18)19(14)20-22-10-11-23(20)16-5-2-4-15(12-16)13-24/h3,6-11,15-16,24H,2,4-5,12-13H2,1H3/t15-,16+/m0/s1
InChIKeyKXMYTOUQUZYICD-JKSUJKDBSA-N
MW321.42 g/mol
LogP4.13
Rot. Bonds3

About [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol

[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol (PubChem CID 155503395) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
PubChem CID155503395
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
SMILESCc1ccc2ncccc2c1-c1nccn1[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C20H23N3O/c1-14-7-8-18-17(6-3-9-21-18)19(14)20-22-10-11-23(20)16-5-2-4-15(12-16)13-24/h3,6-11,15-16,24H,2,4-5,12-13H2,1H3/t15-,16+/m0/s1
InChIKeyKXMYTOUQUZYICD-JKSUJKDBSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
CID 56870582
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
CID 154823973
methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
CID 165421967
2-[2-[1-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 154818401
[(1S,3R)-3-[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]cyclohexyl]methanamine
CID 155508699
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
trans-(1R,3R)-3-[2-(4-methylsulfonylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 154566008
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(1S,5S)-3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 124961994
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-(quinolin-5-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 110150425
3-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120046

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol (CID 155503395) is [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol is Cc1ccc2ncccc2c1-c1nccn1[C@@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol?
The InChIKey is KXMYTOUQUZYICD-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-7-8-18-17(6-3-9-21-18)19(14)20-22-10-11-23(20)16-5-2-4-15(12-16)13-24/h3,6-11,15-16,24H,2,4-5,12-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol?
[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol has a molecular weight of 321.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 155503395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).