2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine

C11H12ClN3O — CID 117188413

IUPAC2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
SMILESCn1c(N)cnc1COc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7,13H2,1H3
InChIKeyOWKNUZIFXZICAF-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.23
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine

2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine (PubChem CID 117188413) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
PubChem CID117188413
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
SMILESCn1c(N)cnc1COc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7,13H2,1H3
InChIKeyOWKNUZIFXZICAF-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
1-[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 43503636
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 864075
ethyl (2S)-2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate
CID 1432567
3-[(4-chlorophenoxy)methyl]-5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 2550386
8-[(4-chlorophenoxy)methyl]-1,3,7-trimethylpurine-2,6-dione
CID 70693293
2-butyl-3-methylimidazol-4-amine;hydrochloride
CID 140989988
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741
4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408272

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine (CID 117188413) is 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine is Cn1c(N)cnc1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine?
The InChIKey is OWKNUZIFXZICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-8(12)3-5-9/h2-6H,7,13H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine?
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine has a molecular weight of 237.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine is sourced from PubChem (CID 117188413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).