N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide

C18H16N4O3 — CID 110793039

IUPACN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2N(C)C1=O
InChIInChI=1S/C18H16N4O3/c1-10-18(24)22(2)15-8-12(4-6-16(15)25-10)21-17(23)11-3-5-13-14(7-11)20-9-19-13/h3-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyCEHMQWXFRHZAMK-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.56
Rot. Bonds2

About N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide

N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 110793039) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
PubChem CID110793039
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2N(C)C1=O
InChIInChI=1S/C18H16N4O3/c1-10-18(24)22(2)15-8-12(4-6-16(15)25-10)21-17(23)11-3-5-13-14(7-11)20-9-19-13/h3-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyCEHMQWXFRHZAMK-UHFFFAOYSA-N
XLogP2.56
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3H-benzimidazole-5-carboxamide
CID 25350582
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131931944
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
CID 131945783
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide (CID 110793039) is N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide is CC1Oc2ccc(NC(=O)c3ccc4nc[nH]c4c3)cc2N(C)C1=O.
What is the InChIKey of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CEHMQWXFRHZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10-18(24)22(2)15-8-12(4-6-16(15)25-10)21-17(23)11-3-5-13-14(7-11)20-9-19-13/h3-10H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide?
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110793039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).