2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide

C26H27N3O2 — CID 135844964

IUPAC2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCc1ccccc1)n1c(-c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C26H27N3O2/c1-18(2)27-26(31)24(17-12-19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)28-25(29)20-13-15-21(30)16-14-20/h3-11,13-16,18,24,30H,12,17H2,1-2H3,(H,27,31)
InChIKeyKXWMEYDJUPTDEX-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.11
Rot. Bonds7

About 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide

2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 135844964) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
PubChem CID135844964
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCc1ccccc1)n1c(-c2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C26H27N3O2/c1-18(2)27-26(31)24(17-12-19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)28-25(29)20-13-15-21(30)16-14-20/h3-11,13-16,18,24,30H,12,17H2,1-2H3,(H,27,31)
InChIKeyKXWMEYDJUPTDEX-UHFFFAOYSA-N
XLogP5.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
CID 177424273
4-[1-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoic acid
CID 141193431
2-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 101112971
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
2-[2-(4-acetylphenyl)benzimidazol-1-yl]-N-propylhexanamide
CID 68697089
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
CID 82162057
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
CID 25412067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide (CID 135844964) is 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(CCc1ccccc1)n1c(-c2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is KXWMEYDJUPTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)27-26(31)24(17-12-19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)28-25(29)20-13-15-21(30)16-14-20/h3-11,13-16,18,24,30H,12,17H2,1-2H3,(H,27,31).
What are the key properties of 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide?
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 413.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 135844964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).