N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C20H20N4O3 — CID 75796156

IUPACN-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCn1c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-4-24-15-8-6-5-7-13(15)22-19(24)23-18(26)20(3)17(25)21-14-11-12(2)9-10-16(14)27-20/h5-11H,4H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyGHSCOVVNDZFTRV-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.09
Rot. Bonds3

About N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 75796156) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID75796156
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCn1c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-4-24-15-8-6-5-7-13(15)22-19(24)23-18(26)20(3)17(25)21-14-11-12(2)9-10-16(14)27-20/h5-11H,4H2,1-3H3,(H,21,25)(H,22,23,26)
InChIKeyGHSCOVVNDZFTRV-UHFFFAOYSA-N
XLogP3.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide
CID 75795927
2,6-dimethyl-N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769872
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768200
N-(2,6-dimethylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796217
N-(3-carbamoylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686410
2,6-dimethyl-3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide
CID 75796173
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796164
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796168
methyl (2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 10944406
N-[(2-chlorophenyl)methyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768490
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796236

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 75796156) is N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CCn1c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is GHSCOVVNDZFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-24-15-8-6-5-7-13(15)22-19(24)23-18(26)20(3)17(25)21-14-11-12(2)9-10-16(14)27-20/h5-11H,4H2,1-3H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75796156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).