N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine

C16H14ClN3 — CID 106556318

IUPACN-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nccn1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-12-14(17)8-5-9-15(12)19-16-18-10-11-20(16)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)
InChIKeyQLWHDDRQMZHUJU-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.58
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine

N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine (PubChem CID 106556318) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
PubChem CID106556318
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nccn1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-12-14(17)8-5-9-15(12)19-16-18-10-11-20(16)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)
InChIKeyQLWHDDRQMZHUJU-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560579
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556305
N-(5-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560632
N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
CID 106576639
N-(3-chloro-5-fluorophenyl)-1-phenylimidazol-2-amine
CID 107371346
N-(3-ethoxyphenyl)-1-phenylimidazol-2-amine
CID 106566765
3-ethyl-1-methyl-N-(1-phenylimidazol-2-yl)pyrazol-4-amine
CID 107465410
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
CID 106569079
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine (CID 106556318) is N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine is Cc1c(Cl)cccc1Nc1nccn1-c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine?
The InChIKey is QLWHDDRQMZHUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-12-14(17)8-5-9-15(12)19-16-18-10-11-20(16)13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine?
N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine has a molecular weight of 283.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106556318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).