5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine

C11H12ClN3O — CID 116879411

IUPAC5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCNc1ncc(-c2cc(Cl)ccc2OC)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)8-5-7(12)3-4-10(8)16-2/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyNDEFSUOWQSIUQL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.78
Rot. Bonds3

About 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine

5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine (PubChem CID 116879411) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
PubChem CID116879411
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCNc1ncc(-c2cc(Cl)ccc2OC)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)8-5-7(12)3-4-10(8)16-2/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyNDEFSUOWQSIUQL-UHFFFAOYSA-N
XLogP2.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879409
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083
[5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884097
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785
6-(5-chloro-2-methoxyphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106514718
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
[5-(4-methoxy-2,3-dimethylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884138
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879061

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine (CID 116879411) is 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine is CNc1ncc(-c2cc(Cl)ccc2OC)[nH]1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The InChIKey is NDEFSUOWQSIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)8-5-7(12)3-4-10(8)16-2/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 116879411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).