3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide

C27H25N5O3 — CID 46228767

IUPAC3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O3/c1-27(2,3)23-16-21(32(31-23)18-10-5-4-6-11-18)25(33)28-17-9-7-12-19(15-17)35-22-14-8-13-20-24(22)30-26(34)29-20/h4-16H,1-3H3,(H,28,33)(H2,29,30,34)
InChIKeyBFOOWTYPJMFIOE-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.38
Rot. Bonds5

About 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide

3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 46228767) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID46228767
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O3/c1-27(2,3)23-16-21(32(31-23)18-10-5-4-6-11-18)25(33)28-17-9-7-12-19(15-17)35-22-14-8-13-20-24(22)30-26(34)29-20/h4-16H,1-3H3,(H,28,33)(H2,29,30,34)
InChIKeyBFOOWTYPJMFIOE-UHFFFAOYSA-N
XLogP5.38
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46228768
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228640
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 147730305
1-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 45141107
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701230
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[3-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea
CID 157062917
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198207
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46196677
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
4-fluoro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45141561

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide (CID 46228767) is 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is BFOOWTYPJMFIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-27(2,3)23-16-21(32(31-23)18-10-5-4-6-11-18)25(33)28-17-9-7-12-19(15-17)35-22-14-8-13-20-24(22)30-26(34)29-20/h4-16H,1-3H3,(H,28,33)(H2,29,30,34).
What are the key properties of 3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide?
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 5.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 46228767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).