2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine

C11H18ClN3O — CID 106938978

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine
SMILESCn1c(Cl)cnc1COC1CCCCC1N
InChIInChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,7,13H2,1H3
InChIKeyALFWLZRHOGEWRU-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.86
Rot. Bonds3

About 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine

2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine (PubChem CID 106938978) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine
PubChem CID106938978
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine
SMILESCn1c(Cl)cnc1COC1CCCCC1N
InChIInChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,7,13H2,1H3
InChIKeyALFWLZRHOGEWRU-UHFFFAOYSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine
CID 106938626
5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
CID 106937675
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]cycloheptan-1-amine
CID 113470035
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
CID 113395337
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
(5-chloro-1-methylimidazol-2-yl)methyl 3-(cyclopentanecarbonylamino)propanoate
CID 71895623
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
4-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121491
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 81493206
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine (CID 106938978) is 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine is Cn1c(Cl)cnc1COC1CCCCC1N.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine?
The InChIKey is ALFWLZRHOGEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15-10(12)6-14-11(15)7-16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,7,13H2,1H3.
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine?
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine has a molecular weight of 243.74 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 106938978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).