5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine

C11H12ClN3O — CID 116879409

IUPAC5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCNc1ncc(-c2ccc(OC)c(Cl)c2)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)7-3-4-10(16-2)8(12)5-7/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyCKBKEPBCQQZBMI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.78
Rot. Bonds3

About 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine

5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine (PubChem CID 116879409) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
PubChem CID116879409
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCNc1ncc(-c2ccc(OC)c(Cl)c2)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)7-3-4-10(16-2)8(12)5-7/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyCKBKEPBCQQZBMI-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-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
N-methyl-5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-amine
CID 116879529
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
5-(3-chloro-4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridine
CID 170685631
[2-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 65022073
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
CID 65022234
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine (CID 116879409) is 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine is CNc1ncc(-c2ccc(OC)c(Cl)c2)[nH]1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
The InChIKey is CKBKEPBCQQZBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-13-11-14-6-9(15-11)7-3-4-10(16-2)8(12)5-7/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine?
5-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 116879409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).