1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine

C11H12ClN3 — CID 106558479

IUPAC1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8-7-15(11(13-2)14-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
InChIKeyUNUJFBMDTWBBIH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine

1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine (PubChem CID 106558479) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
PubChem CID106558479
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8-7-15(11(13-2)14-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
InChIKeyUNUJFBMDTWBBIH-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340
1-(3,5-dichloro-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107581408
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558500
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647486
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
N-(3,4-difluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558206

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine (CID 106558479) is 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine?
The InChIKey is UNUJFBMDTWBBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-7-15(11(13-2)14-8)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine?
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine has a molecular weight of 221.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106558479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).