3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

C24H23N3O3 — CID 46228640

IUPAC3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1
InChIInChI=1S/C24H23N3O3/c1-24(2,3)16-8-4-7-15(13-16)22(28)25-17-9-5-10-18(14-17)30-20-12-6-11-19-21(20)27-23(29)26-19/h4-14H,1-3H3,(H,25,28)(H2,26,27,29)
InChIKeyUNNUWHXBIJOHMZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.20
Rot. Bonds4

About 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide

3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (PubChem CID 46228640) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
PubChem CID46228640
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1
InChIInChI=1S/C24H23N3O3/c1-24(2,3)16-8-4-7-15(13-16)22(28)25-17-9-5-10-18(14-17)30-20-12-6-11-19-21(20)27-23(29)26-19/h4-14H,1-3H3,(H,25,28)(H2,26,27,29)
InChIKeyUNNUWHXBIJOHMZ-UHFFFAOYSA-N
XLogP5.20
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide
CID 46228767
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46228768
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 42625165
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]urea
CID 46228792
4-fluoro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45141561
N-(3-tert-butylphenyl)-2-tritiobenzamide
CID 162779949
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45139573

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide (CID 46228640) is 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is CC(C)(C)c1cccc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1.
What is the InChIKey of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
The InChIKey is UNNUWHXBIJOHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2,3)16-8-4-7-15(13-16)22(28)25-17-9-5-10-18(14-17)30-20-12-6-11-19-21(20)27-23(29)26-19/h4-14H,1-3H3,(H,25,28)(H2,26,27,29).
What are the key properties of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide?
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 46228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).