3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline

C17H15Cl2N3 — CID 59728119

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
SMILESClc1cccc(N(Cc2cnc[nH]2)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H15Cl2N3/c18-14-5-3-6-16(8-14)22(11-15-9-20-12-21-15)10-13-4-1-2-7-17(13)19/h1-9,12H,10-11H2,(H,20,21)
InChIKeyWFXJKVVUEHYYHK-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.92
Rot. Bonds5

About 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline

3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 59728119) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID59728119
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
SMILESClc1cccc(N(Cc2cnc[nH]2)Cc2ccccc2Cl)c1
InChIInChI=1S/C17H15Cl2N3/c18-14-5-3-6-16(8-14)22(11-15-9-20-12-21-15)10-13-4-1-2-7-17(13)19/h1-9,12H,10-11H2,(H,20,21)
InChIKeyWFXJKVVUEHYYHK-UHFFFAOYSA-N
XLogP4.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline (CID 59728119) is 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline is Clc1cccc(N(Cc2cnc[nH]2)Cc2ccccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is WFXJKVVUEHYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-14-5-3-6-16(8-14)22(11-15-9-20-12-21-15)10-13-4-1-2-7-17(13)19/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline?
3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 332.23 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 59728119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).