N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

C21H19N5 — CID 118094752

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C21H19N5/c1-14-23-18-8-4-5-9-19(18)26(14)21-13-22-12-20(25-21)24-17-10-15-6-2-3-7-16(15)11-17/h2-9,12-13,17H,10-11H2,1H3,(H,24,25)
InChIKeyGQXFJGYYAMFMEK-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.70
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (PubChem CID 118094752) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
PubChem CID118094752
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
SMILESCc1nc2ccccc2n1-c1cncc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C21H19N5/c1-14-23-18-8-4-5-9-19(18)26(14)21-13-22-12-20(25-21)24-17-10-15-6-2-3-7-16(15)11-17/h2-9,12-13,17H,10-11H2,1H3,(H,24,25)
InChIKeyGQXFJGYYAMFMEK-UHFFFAOYSA-N
XLogP3.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine (CID 118094752) is N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is Cc1nc2ccccc2n1-c1cncc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
The InChIKey is GQXFJGYYAMFMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-14-23-18-8-4-5-9-19(18)26(14)21-13-22-12-20(25-21)24-17-10-15-6-2-3-7-16(15)11-17/h2-9,12-13,17H,10-11H2,1H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 118094752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).