[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol

C12H20ClN3O — CID 113442476

IUPAC[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCn1c(Cl)cnc1CNC1CCCCC1CO
InChIInChI=1S/C12H20ClN3O/c1-16-11(13)6-15-12(16)7-14-10-5-3-2-4-9(10)8-17/h6,9-10,14,17H,2-5,7-8H2,1H3
InChIKeyHWTLIOHAQVYUBI-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.71
Rot. Bonds4

About [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol

[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 113442476) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
PubChem CID113442476
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
SMILESCn1c(Cl)cnc1CNC1CCCCC1CO
InChIInChI=1S/C12H20ClN3O/c1-16-11(13)6-15-12(16)7-14-10-5-3-2-4-9(10)8-17/h6,9-10,14,17H,2-5,7-8H2,1H3
InChIKeyHWTLIOHAQVYUBI-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 99609979
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62398136
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 55148655
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine
CID 115653164
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
(3R,4S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 95305294
[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 114178487
[2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
CID 115684440

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol (CID 113442476) is [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol is Cn1c(Cl)cnc1CNC1CCCCC1CO.
What is the InChIKey of [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is HWTLIOHAQVYUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-16-11(13)6-15-12(16)7-14-10-5-3-2-4-9(10)8-17/h6,9-10,14,17H,2-5,7-8H2,1H3.
What are the key properties of [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol?
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 257.76 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 113442476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).