1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide

C21H22N4O4 — CID 154794308

IUPAC1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C21H22N4O4/c1-13-3-4-15(20(27)25-7-9-29-10-8-25)12-16(13)22-19(26)14-5-6-18-17(11-14)23-21(28)24(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyXMUCFMCVRIESLO-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 154794308) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID154794308
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C21H22N4O4/c1-13-3-4-15(20(27)25-7-9-29-10-8-25)12-16(13)22-19(26)14-5-6-18-17(11-14)23-21(28)24(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyXMUCFMCVRIESLO-UHFFFAOYSA-N
XLogP1.90
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 154794308) is 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide is Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is XMUCFMCVRIESLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-3-4-15(20(27)25-7-9-29-10-8-25)12-16(13)22-19(26)14-5-6-18-17(11-14)23-21(28)24(18)2/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154794308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).