8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

C23H20N6O2 — CID 53188952

IUPAC8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2nccn3cc(C(=O)NCc4nc5ccccc5n4C)nc23)cc1
InChIInChI=1S/C23H20N6O2/c1-28-19-6-4-3-5-17(19)26-20(28)13-25-23(30)18-14-29-12-11-24-21(22(29)27-18)15-7-9-16(31-2)10-8-15/h3-12,14H,13H2,1-2H3,(H,25,30)
InChIKeyGEMQIGWYBLJWOM-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.22
Rot. Bonds5

About 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide

8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 53188952) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID53188952
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2nccn3cc(C(=O)NCc4nc5ccccc5n4C)nc23)cc1
InChIInChI=1S/C23H20N6O2/c1-28-19-6-4-3-5-17(19)26-20(28)13-25-23(30)18-14-29-12-11-24-21(22(29)27-18)15-7-9-16(31-2)10-8-15/h3-12,14H,13H2,1-2H3,(H,25,30)
InChIKeyGEMQIGWYBLJWOM-UHFFFAOYSA-N
XLogP3.22
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]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 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 53188952) is 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is COc1ccc(-c2nccn3cc(C(=O)NCc4nc5ccccc5n4C)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GEMQIGWYBLJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-28-19-6-4-3-5-17(19)26-20(28)13-25-23(30)18-14-29-12-11-24-21(22(29)27-18)15-7-9-16(31-2)10-8-15/h3-12,14H,13H2,1-2H3,(H,25,30).
What are the key properties of 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 53188952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).