1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine

C16H25ClN4 — CID 120972985

IUPAC1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CNC1=NCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN4/c1-4-10-20(2)15(13-5-7-14(17)8-6-13)12-19-16-18-9-11-21(16)3/h5-8,15H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyFSCALPRJKTYYGD-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine

1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine (PubChem CID 120972985) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
PubChem CID120972985
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CNC1=NCCN1C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN4/c1-4-10-20(2)15(13-5-7-14(17)8-6-13)12-19-16-18-9-11-21(16)3/h5-8,15H,4,9-12H2,1-3H3,(H,18,19)
InChIKeyFSCALPRJKTYYGD-UHFFFAOYSA-N
XLogP2.61
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine (CID 120972985) is 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine is CCCN(C)C(CNC1=NCCN1C)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is FSCALPRJKTYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-4-10-20(2)15(13-5-7-14(17)8-6-13)12-19-16-18-9-11-21(16)3/h5-8,15H,4,9-12H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine?
1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 308.86 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 120972985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).