2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one

C28H31N5O2 — CID 118509527

IUPAC2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
SMILESCc1nc(-c2nc3cc4c(cc3n2[C@@H](C)c2ccccc2)N(C(C)C)C(=O)C4(C)C)cn(C)c1=O
InChIInChI=1S/C28H31N5O2/c1-16(2)32-23-14-24-21(13-20(23)28(5,6)27(32)35)30-25(22-15-31(7)26(34)17(3)29-22)33(24)18(4)19-11-9-8-10-12-19/h8-16,18H,1-7H3/t18-/m0/s1
InChIKeyYQRZARPAWNRNAI-SFHVURJKSA-N
MW469.59 g/mol
LogP4.75
Rot. Bonds4

About 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one

2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one (PubChem CID 118509527) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one.

Molecular Properties

Compound Name2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
PubChem CID118509527
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
SMILESCc1nc(-c2nc3cc4c(cc3n2[C@@H](C)c2ccccc2)N(C(C)C)C(=O)C4(C)C)cn(C)c1=O
InChIInChI=1S/C28H31N5O2/c1-16(2)32-23-14-24-21(13-20(23)28(5,6)27(32)35)30-25(22-15-31(7)26(34)17(3)29-22)33(24)18(4)19-11-9-8-10-12-19/h8-16,18H,1-7H3/t18-/m0/s1
InChIKeyYQRZARPAWNRNAI-SFHVURJKSA-N
XLogP4.75
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,5-dimethyl-6-oxo-3-pyridinyl)-6,7,7-trimethyl-3-[(1S)-1-phenylethyl]pyrrolo[3,4-f]benzimidazol-5-one
CID 118509532
5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
CID 123378917
2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-[(1S)-1-[3-[[5-[1,3-dimethyl-7-[(1S)-1-phenylethyl]imidazo[4,5-f]indazol-6-yl]-3-methyl-2-oxo-1-pyridinyl]methyl]phenyl]ethyl]-6,7,7-trimethylpyrrolo[3,4-f]benzimidazol-5-one
CID 144956290
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 118232219
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
2,4-dimethyl-6-[3-(1-phenylethyl)-5-propan-2-yloxyimidazo[4,5-b]pyridin-2-yl]pyridazin-3-one
CID 123711112
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
CID 122623627
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide
CID 145172122
N-(7,7-dimethyl-6-oxo-5-pentyl-1-propan-2-ylpyrrolo[2,3-f]benzimidazol-2-yl)benzamide
CID 59300814

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The IUPAC name of 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one (CID 118509527) is 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one.
What is the SMILES notation for 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The canonical SMILES for 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one is Cc1nc(-c2nc3cc4c(cc3n2[C@@H](C)c2ccccc2)N(C(C)C)C(=O)C4(C)C)cn(C)c1=O.
What is the InChIKey of 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
The InChIKey is YQRZARPAWNRNAI-SFHVURJKSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-16(2)32-23-14-24-21(13-20(23)28(5,6)27(32)35)30-25(22-15-31(7)26(34)17(3)29-22)33(24)18(4)19-11-9-8-10-12-19/h8-16,18H,1-7H3/t18-/m0/s1.
What are the key properties of 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one?
2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one has a molecular weight of 469.59 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one is sourced from PubChem (CID 118509527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).