1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine

C20H20N4 — CID 145140028

IUPAC1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
SMILESC=C(NCC1c2ccccc2-c2cncn21)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4/c1-14-7-9-16(10-8-14)23-15(2)22-12-20-18-6-4-3-5-17(18)19-11-21-13-24(19)20/h3-11,13,20,22-23H,2,12H2,1H3
InChIKeyKNJYSAVXRWYSSY-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.93
Rot. Bonds5

About 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine

1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine (PubChem CID 145140028) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
PubChem CID145140028
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
SMILESC=C(NCC1c2ccccc2-c2cncn21)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N4/c1-14-7-9-16(10-8-14)23-15(2)22-12-20-18-6-4-3-5-17(18)19-11-21-13-24(19)20/h3-11,13,20,22-23H,2,12H2,1H3
InChIKeyKNJYSAVXRWYSSY-UHFFFAOYSA-N
XLogP3.93
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine?
The IUPAC name of 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine (CID 145140028) is 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine is C=C(NCC1c2ccccc2-c2cncn21)Nc1ccc(C)cc1.
What is the InChIKey of 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine?
The InChIKey is KNJYSAVXRWYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-14-7-9-16(10-8-14)23-15(2)22-12-20-18-6-4-3-5-17(18)19-11-21-13-24(19)20/h3-11,13,20,22-23H,2,12H2,1H3.
What are the key properties of 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine?
1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine is sourced from PubChem (CID 145140028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).