4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline

C17H15Cl2N3 — CID 82558475

IUPAC4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
SMILESNc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11,20H2
InChIKeyLORFXSFWIQPBEE-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.41
Rot. Bonds4

About 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline

4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline (PubChem CID 82558475) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
PubChem CID82558475
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
SMILESNc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11,20H2
InChIKeyLORFXSFWIQPBEE-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline 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

4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
CID 69208976
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
CID 82558466
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline?
The IUPAC name of 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline (CID 82558475) is 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline?
The canonical SMILES for 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline is Nc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline?
The InChIKey is LORFXSFWIQPBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-14-7-13(8-15(19)10-14)9-17-21-5-6-22(17)11-12-1-3-16(20)4-2-12/h1-8,10H,9,11,20H2.
What are the key properties of 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline?
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline has a molecular weight of 332.23 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82558475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).