N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide

C27H25N5O3 — CID 46228822

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
InChIKeyGLDPXWNDIUPOHH-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.38
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide (PubChem CID 46228822) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide
PubChem CID46228822
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
InChIKeyGLDPXWNDIUPOHH-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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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide (CID 46228822) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide is CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide?
The InChIKey is GLDPXWNDIUPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide 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 N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]benzamide is sourced from PubChem (CID 46228822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).