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

C17H18Cl2N4 — CID 70530318

IUPAC2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N4/c1-11-2-4-12(5-3-11)10-22-13-8-14(18)16(15(19)9-13)23-17-20-6-7-21-17/h2-5,8-9,22H,6-7,10H2,1H3,(H2,20,21,23)
InChIKeyHBJICMKOWDVBHY-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.29
Rot. Bonds4

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

2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 70530318) has the molecular formula C17H18Cl2N4 and a molecular weight of 349.26 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID70530318
Molecular FormulaC17H18Cl2N4
Molecular Weight349.26 g/mol
Exact Mass348.09
IUPAC Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N4/c1-11-2-4-12(5-3-11)10-22-13-8-14(18)16(15(19)9-13)23-17-20-6-7-21-17/h2-5,8-9,22H,6-7,10H2,1H3,(H2,20,21,23)
InChIKeyHBJICMKOWDVBHY-UHFFFAOYSA-N
XLogP4.29
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine (CID 70530318) is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine is Cc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is HBJICMKOWDVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4/c1-11-2-4-12(5-3-11)10-22-13-8-14(18)16(15(19)9-13)23-17-20-6-7-21-17/h2-5,8-9,22H,6-7,10H2,1H3,(H2,20,21,23).
What are the key properties of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 349.26 g/mol, XLogP of 4.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 70530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).