6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one

C17H15N3O2 — CID 168555870

IUPAC6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C17H15N3O2/c1-2-20-14-9-11(7-8-15(14)22-10-16(20)21)17-18-12-5-3-4-6-13(12)19-17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyADZAZRHWXZHFNS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.98
Rot. Bonds2

About 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one

6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one (PubChem CID 168555870) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one
PubChem CID168555870
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(-c3nc4ccccc4[nH]3)cc21
InChIInChI=1S/C17H15N3O2/c1-2-20-14-9-11(7-8-15(14)22-10-16(20)21)17-18-12-5-3-4-6-13(12)19-17/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyADZAZRHWXZHFNS-UHFFFAOYSA-N
XLogP2.98
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761480
N-[[3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53011774
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
4-ethyl-6-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-1,4-benzoxazin-3-one
CID 27262278
6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
3-ethyl-6-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035737
6-[5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-propyl-1,4-benzoxazin-3-one
CID 53032063
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one (CID 168555870) is 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(-c3nc4ccccc4[nH]3)cc21.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one?
The InChIKey is ADZAZRHWXZHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-20-14-9-11(7-8-15(14)22-10-16(20)21)17-18-12-5-3-4-6-13(12)19-17/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one?
6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one has a molecular weight of 293.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-4-ethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 168555870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).