4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

C11H19N3O — CID 62741581

IUPAC4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCC(O)CC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-10(14-8)7-13-9-2-4-11(15)5-3-9/h6,9,11,13,15H,2-5,7H2,1H3,(H,12,14)
InChIKeyWBYWGJAUJYQIIG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 62741581) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID62741581
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCC(O)CC2)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-10(14-8)7-13-9-2-4-11(15)5-3-9/h6,9,11,13,15H,2-5,7H2,1H3,(H,12,14)
InChIKeyWBYWGJAUJYQIIG-UHFFFAOYSA-N
XLogP1.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62742176
rac-(3R,4R)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-fluoropyrrolidin-3-ol
CID 131943293
(3R*,4R*)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(4-methyl-1-piperazinyl)-3-piperidinol
CID 28955437
(3'R*,4'R*)-1'-[(2-butyl-1H-imidazol-4-yl)methyl]-1,4'-bipiperidine-3',4-diol
CID 42512052
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
1H-Imidazole-5-methanamine, N-cyclohexyl-2-methyl-
CID 62741390
N-methyl-1-[2-(oxan-4-yl)-1H-imidazol-5-yl]methanamine
CID 65334254

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (CID 62741581) is 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is Cc1ncc(CNC2CCC(O)CC2)[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is WBYWGJAUJYQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-12-6-10(14-8)7-13-9-2-4-11(15)5-3-9/h6,9,11,13,15H,2-5,7H2,1H3,(H,12,14).
What are the key properties of 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62741581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).