5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

C18H20N6O2 — CID 54596639

IUPAC5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)NCC4CCCO4)cnc3N)[nH]c2c1
InChIInChI=1S/C18H20N6O2/c1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24)
InChIKeyAHHHXQHMEXHKGO-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.82
Rot. Bonds4

About 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 54596639) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID54596639
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccc2nc(-c3nc(C(=O)NCC4CCCO4)cnc3N)[nH]c2c1
InChIInChI=1S/C18H20N6O2/c1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24)
InChIKeyAHHHXQHMEXHKGO-UHFFFAOYSA-N
XLogP1.82
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide 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 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (CID 54596639) is 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is Cc1ccc2nc(-c3nc(C(=O)NCC4CCCO4)cnc3N)[nH]c2c1.
What is the InChIKey of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is AHHHXQHMEXHKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-10-4-5-12-13(7-10)24-17(23-12)15-16(19)20-9-14(22-15)18(25)21-8-11-3-2-6-26-11/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,19,20)(H,21,25)(H,23,24).
What are the key properties of 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(6-methyl-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 54596639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).