1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine

C17H16ClN3 — CID 106560864

IUPAC1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyBVLNJEJWQVVSIU-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.89
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine

1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106560864) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106560864
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyBVLNJEJWQVVSIU-UHFFFAOYSA-N
XLogP4.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106555622
4-methyl-1-(3-methylphenyl)-N-phenylimidazol-2-amine
CID 106560180
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106560885
1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 107618232
1-(4-iodophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106554158
1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106564030
N-(4-bromophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558632
N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106558735
N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 107605161
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (CID 106560864) is 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is Cc1ccc(-n2cc(C)nc2Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is BVLNJEJWQVVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-8-9-16(15(18)10-12)21-11-13(2)19-17(21)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 297.79 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106560864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).