3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline

C17H16ClN3 — CID 43229429

IUPAC3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1Cl
InChIInChI=1S/C17H16ClN3/c1-13-2-5-15(10-17(13)18)20-11-14-3-6-16(7-4-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3
InChIKeyGICOKXQQCYTJTI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.45
Rot. Bonds4

About 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline

3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline (PubChem CID 43229429) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
PubChem CID43229429
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1Cl
InChIInChI=1S/C17H16ClN3/c1-13-2-5-15(10-17(13)18)20-11-14-3-6-16(7-4-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3
InChIKeyGICOKXQQCYTJTI-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-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
2-chloro-4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229813
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-chloro-4-imidazol-1-yl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]aniline
CID 97236678
N-[(3-chloro-4-methylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 106816511
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 38001939
2-bromo-N-[(4-imidazol-1-ylphenyl)methyl]-5-methylaniline
CID 82745549
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline (CID 43229429) is 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline?
The InChIKey is GICOKXQQCYTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-13-2-5-15(10-17(13)18)20-11-14-3-6-16(7-4-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3.
What are the key properties of 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline?
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline 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 3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 43229429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).