2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine

C13H18Cl2N4 — CID 142161063

IUPAC2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(C)c1cc(Cl)cc(NC2=NCCN2)c1Cl
InChIInChI=1S/C13H18Cl2N4/c1-3-6-19(2)11-8-9(14)7-10(12(11)15)18-13-16-4-5-17-13/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyMUBROQCREBYSSF-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.21
Rot. Bonds4

About 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine

2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine (PubChem CID 142161063) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine
PubChem CID142161063
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC Name2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(C)c1cc(Cl)cc(NC2=NCCN2)c1Cl
InChIInChI=1S/C13H18Cl2N4/c1-3-6-19(2)11-8-9(14)7-10(12(11)15)18-13-16-4-5-17-13/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyMUBROQCREBYSSF-UHFFFAOYSA-N
XLogP3.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine?
The IUPAC name of 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine (CID 142161063) is 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine?
The canonical SMILES for 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine is CCCN(C)c1cc(Cl)cc(NC2=NCCN2)c1Cl.
What is the InChIKey of 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine?
The InChIKey is MUBROQCREBYSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4/c1-3-6-19(2)11-8-9(14)7-10(12(11)15)18-13-16-4-5-17-13/h7-8H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine?
2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine has a molecular weight of 301.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-3-N-methyl-3-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 142161063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).