N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline

C16H13Cl2N3 — CID 60789771

IUPACN-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
SMILESClc1cc(Cl)cc(CNc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-12(8-14(18)9-13)10-20-15-3-1-2-4-16(15)21-6-5-19-11-21/h1-9,11,20H,10H2
InChIKeyUGEQYSWEHGJYNB-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.79
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline

N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline (PubChem CID 60789771) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
PubChem CID60789771
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
SMILESClc1cc(Cl)cc(CNc2ccccc2-n2ccnc2)c1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-12(8-14(18)9-13)10-20-15-3-1-2-4-16(15)21-6-5-19-11-21/h1-9,11,20H,10H2
InChIKeyUGEQYSWEHGJYNB-UHFFFAOYSA-N
XLogP4.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936418
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
2-fluoro-6-[(2-imidazol-1-ylanilino)methyl]phenol
CID 115951077
5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
CID 104608250
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline (CID 60789771) is N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline is Clc1cc(Cl)cc(CNc2ccccc2-n2ccnc2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline?
The InChIKey is UGEQYSWEHGJYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-7-12(8-14(18)9-13)10-20-15-3-1-2-4-16(15)21-6-5-19-11-21/h1-9,11,20H,10H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline?
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline has a molecular weight of 318.21 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline is sourced from PubChem (CID 60789771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).