1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione

C25H24N2O2 — CID 175865402

IUPAC1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione
SMILESCC(=O)CC(=O)CC1(c2ccccc2)Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-19(28)16-22(29)17-25(21-12-6-3-7-13-21)26-23-14-8-9-15-24(23)27(25)18-20-10-4-2-5-11-20/h2-15,26H,16-18H2,1H3
InChIKeyUCQGYYNTXFBMJX-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.91
Rot. Bonds7

About 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione

1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione (PubChem CID 175865402) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione.

Molecular Properties

Compound Name1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione
PubChem CID175865402
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione
SMILESCC(=O)CC(=O)CC1(c2ccccc2)Nc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-19(28)16-22(29)17-25(21-12-6-3-7-13-21)26-23-14-8-9-15-24(23)27(25)18-20-10-4-2-5-11-20/h2-15,26H,16-18H2,1H3
InChIKeyUCQGYYNTXFBMJX-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione;iridium(3+)
CID 175865401
3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
2-(1-benzyl-2-hydroxy-2-methyl-3H-indol-3-yl)acetic acid
CID 69023268
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
CID 11023741
3-benzyl-2-(4-butoxyphenyl)-2-ethyl-1H-quinazolin-4-one
CID 54779287
(2R,5S)-3-benzyl-2,5-dimethyl-2-(2-oxopropyl)-1,3-oxazolidin-4-one
CID 101241718
1-benzyl-4,10a-diphenyl-5,10-dihydropyrrolo[2,3-b][1,5]benzodiazepine-2,3-dione
CID 3522437
3-benzyl-2-ethyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779288
(2S)-3-benzyl-1,2-dihydrobenzimidazol-2-ol
CID 95654617
(2S)-1-benzyl-5-oxo-2-phenylpyrrolidine-2-carboxamide
CID 139058611

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione?
The IUPAC name of 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione (CID 175865402) is 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione.
What is the SMILES notation for 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione?
The canonical SMILES for 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione is CC(=O)CC(=O)CC1(c2ccccc2)Nc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione?
The InChIKey is UCQGYYNTXFBMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-19(28)16-22(29)17-25(21-12-6-3-7-13-21)26-23-14-8-9-15-24(23)27(25)18-20-10-4-2-5-11-20/h2-15,26H,16-18H2,1H3.
What are the key properties of 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione?
1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione has a molecular weight of 384.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-phenyl-1H-benzimidazol-2-yl)pentane-2,4-dione is sourced from PubChem (CID 175865402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).