N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C22H16N4O3 — CID 39952263

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1
InChIInChI=1S/C22H16N4O3/c27-20-12-29-19-9-8-14(11-18(19)24-20)22(28)23-15-5-3-4-13(10-15)21-25-16-6-1-2-7-17(16)26-21/h1-11H,12H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyGPSGGLVBLTXKPM-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.81
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 39952263) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID39952263
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1
InChIInChI=1S/C22H16N4O3/c27-20-12-29-19-9-8-14(11-18(19)24-20)22(28)23-15-5-3-4-13(10-15)21-25-16-6-1-2-7-17(16)26-21/h1-11H,12H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyGPSGGLVBLTXKPM-UHFFFAOYSA-N
XLogP3.81
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 5127236
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 91640008
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 4655949
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 59802884

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 39952263) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is GPSGGLVBLTXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-20-12-29-19-9-8-14(11-18(19)24-20)22(28)23-15-5-3-4-13(10-15)21-25-16-6-1-2-7-17(16)26-21/h1-11H,12H2,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 39952263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).