3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline

C17H15Cl2N3 — CID 22557387

IUPAC3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(c1ccc(Cl)cc1)c1ccc(N)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c1-22-9-8-21-17(22)16(11-2-4-12(18)5-3-11)14-7-6-13(20)10-15(14)19/h2-10,16H,20H2,1H3
InChIKeyMBHUHQYZHGFPPG-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.49
Rot. Bonds3

About 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline

3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 22557387) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline
PubChem CID22557387
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(c1ccc(Cl)cc1)c1ccc(N)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c1-22-9-8-21-17(22)16(11-2-4-12(18)5-3-11)14-7-6-13(20)10-15(14)19/h2-10,16H,20H2,1H3
InChIKeyMBHUHQYZHGFPPG-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
CID 27260955
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
3-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82486458
1-(2-chloro-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 106857664
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
3-chloro-4-(1-methylimidazol-2-yl)sulfonylaniline
CID 141374502
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline (CID 22557387) is 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1C(c1ccc(Cl)cc1)c1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is MBHUHQYZHGFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-22-9-8-21-17(22)16(11-2-4-12(18)5-3-11)14-7-6-13(20)10-15(14)19/h2-10,16H,20H2,1H3.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline?
3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 332.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 22557387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).