N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide

C17H14N4O3 — CID 110744803

IUPACN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc2c(c(NC(=O)c3ccc4nc[nH]c4c3)c1)OCC(=O)N2
InChIInChI=1S/C17H14N4O3/c1-9-4-13-16(24-7-15(22)20-13)14(5-9)21-17(23)10-2-3-11-12(6-10)19-8-18-11/h2-6,8H,7H2,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyZXFINODZAKGEOP-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.45
Rot. Bonds2

About N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide

N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 110744803) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
PubChem CID110744803
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc2c(c(NC(=O)c3ccc4nc[nH]c4c3)c1)OCC(=O)N2
InChIInChI=1S/C17H14N4O3/c1-9-4-13-16(24-7-15(22)20-13)14(5-9)21-17(23)10-2-3-11-12(6-10)19-8-18-11/h2-6,8H,7H2,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyZXFINODZAKGEOP-UHFFFAOYSA-N
XLogP2.45
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide (CID 110744803) is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide is Cc1cc2c(c(NC(=O)c3ccc4nc[nH]c4c3)c1)OCC(=O)N2.
What is the InChIKey of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZXFINODZAKGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-9-4-13-16(24-7-15(22)20-13)14(5-9)21-17(23)10-2-3-11-12(6-10)19-8-18-11/h2-6,8H,7H2,1H3,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide?
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).