N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C24H20N4O3 — CID 24513496

IUPACN-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H20N4O3/c29-23(13-14-27-21-7-3-4-8-22(21)31-15-24(27)30)26-17-9-11-18(12-10-17)28-16-25-19-5-1-2-6-20(19)28/h1-12,16H,13-15H2,(H,26,29)
InChIKeyZRXFKYJPQVXGHT-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.78
Rot. Bonds5

About N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 24513496) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID24513496
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C24H20N4O3/c29-23(13-14-27-21-7-3-4-8-22(21)31-15-24(27)30)26-17-9-11-18(12-10-17)28-16-25-19-5-1-2-6-20(19)28/h1-12,16H,13-15H2,(H,26,29)
InChIKeyZRXFKYJPQVXGHT-UHFFFAOYSA-N
XLogP3.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
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N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27701453
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17446472
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46692780
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55526571
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51334622
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 24513496) is N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is ZRXFKYJPQVXGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-23(13-14-27-21-7-3-4-8-22(21)31-15-24(27)30)26-17-9-11-18(12-10-17)28-16-25-19-5-1-2-6-20(19)28/h1-12,16H,13-15H2,(H,26,29).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 412.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 24513496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).