2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine

C16H14N4 — CID 121265680

IUPAC2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1NC1c2ccccc2-n2cncc21
InChIInChI=1S/C16H14N4/c17-12-6-2-3-7-13(12)19-16-11-5-1-4-8-14(11)20-10-18-9-15(16)20/h1-10,16,19H,17H2
InChIKeyYHHQYXWBKLUCON-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.97
Rot. Bonds2

About 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine

2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine (PubChem CID 121265680) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine
PubChem CID121265680
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine
SMILESNc1ccccc1NC1c2ccccc2-n2cncc21
InChIInChI=1S/C16H14N4/c17-12-6-2-3-7-13(12)19-16-11-5-1-4-8-14(11)20-10-18-9-15(16)20/h1-10,16,19H,17H2
InChIKeyYHHQYXWBKLUCON-UHFFFAOYSA-N
XLogP2.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4H-imidazo[1,5-a]indol-4-yl)aniline
CID 121265540
N-pyridin-3-yl-4H-imidazo[1,5-a]indol-4-amine
CID 121265545
N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine
CID 121265553
N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine
CID 90803198
13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
CID 138482135
2-(4,5-diiodoimidazol-1-yl)aniline
CID 130508396
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
[(1R,5S)-3-(2-aminoanilino)-8-azabicyclo[3.2.1]octan-8-yl]-methylborinic acid
CID 59451242
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 53302987
[3-(2-aminophenyl)imidazol-4-yl]methyl acetate
CID 141071232

Frequently Asked Questions

What is the IUPAC name of 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine (CID 121265680) is 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine is Nc1ccccc1NC1c2ccccc2-n2cncc21.
What is the InChIKey of 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine?
The InChIKey is YHHQYXWBKLUCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-12-6-2-3-7-13(12)19-16-11-5-1-4-8-14(11)20-10-18-9-15(16)20/h1-10,16,19H,17H2.
What are the key properties of 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine?
2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine has a molecular weight of 262.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4H-imidazo[1,5-a]indol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 121265680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).