2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

C16H15Cl3N4 — CID 70531671

IUPAC2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESClc1cccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-3-1-2-10(6-11)9-22-12-7-13(18)15(14(19)8-12)23-16-20-4-5-21-16/h1-3,6-8,22H,4-5,9H2,(H2,20,21,23)
InChIKeyWJJZYESXYCEJAM-UHFFFAOYSA-N
MW369.68 g/mol
LogP4.63
Rot. Bonds4

About 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (PubChem CID 70531671) has the molecular formula C16H15Cl3N4 and a molecular weight of 369.68 g/mol. Its IUPAC name is 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
PubChem CID70531671
Molecular FormulaC16H15Cl3N4
Molecular Weight369.68 g/mol
Exact Mass368.04
IUPAC Name2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESClc1cccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl3N4/c17-11-3-1-2-10(6-11)9-22-12-7-13(18)15(14(19)8-12)23-16-20-4-5-21-16/h1-3,6-8,22H,4-5,9H2,(H2,20,21,23)
InChIKeyWJJZYESXYCEJAM-UHFFFAOYSA-N
XLogP4.63
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (CID 70531671) is 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is Clc1cccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)c1.
What is the InChIKey of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The InChIKey is WJJZYESXYCEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N4/c17-11-3-1-2-10(6-11)9-22-12-7-13(18)15(14(19)8-12)23-16-20-4-5-21-16/h1-3,6-8,22H,4-5,9H2,(H2,20,21,23).
What are the key properties of 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine has a molecular weight of 369.68 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 70531671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).