N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine

C17H16ClN3 — CID 106570145

IUPACN-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyRJRIKNVQKXIPGW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.45
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine

N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106570145) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
PubChem CID106570145
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyRJRIKNVQKXIPGW-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64916170
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 107605161

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine (CID 106570145) is N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is RJRIKNVQKXIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine?
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 297.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106570145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).