1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

C19H22N6O2 — CID 72868991

IUPAC1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cn1
InChIInChI=1S/C19H22N6O2/c1-13-10-21-15(11-20-13)12-22-18(26)14-3-4-17-16(9-14)23-19(24(17)2)25-5-7-27-8-6-25/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,26)
InChIKeyPWCAVPNXODRJTE-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.44
Rot. Bonds4

About 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72868991) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72868991
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cn1
InChIInChI=1S/C19H22N6O2/c1-13-10-21-15(11-20-13)12-22-18(26)14-3-4-17-16(9-14)23-19(24(17)2)25-5-7-27-8-6-25/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,26)
InChIKeyPWCAVPNXODRJTE-UHFFFAOYSA-N
XLogP1.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72868991) is 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cc1cnc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cn1.
What is the InChIKey of 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is PWCAVPNXODRJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-10-21-15(11-20-13)12-22-18(26)14-3-4-17-16(9-14)23-19(24(17)2)25-5-7-27-8-6-25/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72868991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).