5-(4-chlorophenyl)-1-methylimidazol-2-amine

C40H40Cl4N12 — CID 139065146

IUPAC5-(4-chlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/4C10H10ClN3/c4*1-14-9(6-13-10(14)12)7-2-4-8(11)5-3-7/h4*2-6H,1H3,(H2,12,13)
InChIKeyRWJNCVGEXQBVEL-UHFFFAOYSA-N
MW830.66 g/mol
LogP9.29
Rot. Bonds4

About 5-(4-chlorophenyl)-1-methylimidazol-2-amine

5-(4-chlorophenyl)-1-methylimidazol-2-amine (PubChem CID 139065146) has the molecular formula C40H40Cl4N12 and a molecular weight of 830.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methylimidazol-2-amine
PubChem CID139065146
Molecular FormulaC40H40Cl4N12
Molecular Weight830.66 g/mol
Exact Mass828.23
IUPAC Name5-(4-chlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/4C10H10ClN3/c4*1-14-9(6-13-10(14)12)7-2-4-8(11)5-3-7/h4*2-6H,1H3,(H2,12,13)
InChIKeyRWJNCVGEXQBVEL-UHFFFAOYSA-N
XLogP9.29
TPSA175.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.66
LogP ≤ 59.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

1-[(4-Chlorophenyl)-[5-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]methyl]imidazole
CID 155554863
1-[(4-Chlorophenyl)-[5-(4-chlorophenyl)-1-methylpyrrol-3-yl]methyl]imidazole
CID 155560551
5-(4-Chlorophenyl)-1-dodecylimidazol-2-amine
CID 50941031
N,N'-bis[5-(4-chlorophenyl)-1H-imidazol-2-yl]butane-1,4-diamine
CID 145968516
1-[5-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]pentyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145968633
1-[6-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]hexyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145969028
N,N'-bis[5-(4-chlorophenyl)-1H-imidazol-2-yl]propane-1,3-diamine
CID 145969359
1-[7-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]heptyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145969907
1-[8-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]octyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145970243
1-[3-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]propyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145970605
1-[4-[2-Amino-5-(4-chlorophenyl)imidazol-1-yl]butyl]-5-(4-chlorophenyl)imidazol-2-amine
CID 145970640
N,N'-bis[5-(4-chlorophenyl)-1H-imidazol-2-yl]octane-1,8-diamine
CID 145986810

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-methylimidazol-2-amine (CID 139065146) is 5-(4-chlorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-methylimidazol-2-amine is Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.Cn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-methylimidazol-2-amine?
The InChIKey is RWJNCVGEXQBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H10ClN3/c4*1-14-9(6-13-10(14)12)7-2-4-8(11)5-3-7/h4*2-6H,1H3,(H2,12,13).
What are the key properties of 5-(4-chlorophenyl)-1-methylimidazol-2-amine?
5-(4-chlorophenyl)-1-methylimidazol-2-amine has a molecular weight of 830.66 g/mol, XLogP of 9.29, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 139065146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).