2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C30H30N6O4 — CID 44570616

IUPAC2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)c(=O)n2CC(=O)N(C)C
InChIInChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
InChIKeyPBWHSDOEPJZMGV-PMERELPUSA-N
MW538.61 g/mol
LogP2.53
Rot. Bonds5

About 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 44570616) has the molecular formula C30H30N6O4 and a molecular weight of 538.61 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID44570616
Molecular FormulaC30H30N6O4
Molecular Weight538.61 g/mol
Exact Mass538.23
IUPAC Name2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)c(=O)n2CC(=O)N(C)C
InChIInChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1
InChIKeyPBWHSDOEPJZMGV-PMERELPUSA-N
XLogP2.53
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.61
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 44570616) is 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)Nc3ncccc31)c(=O)n2CC(=O)N(C)C.
What is the InChIKey of 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is PBWHSDOEPJZMGV-PMERELPUSA-N. The full InChI is InChI=1S/C30H30N6O4/c1-17-10-18(2)26-23(11-17)35(29(40)36(26)16-25(38)34(3)4)15-24(37)32-21-8-7-19-13-30(14-20(19)12-21)22-6-5-9-31-27(22)33-28(30)39/h5-12H,13-16H2,1-4H3,(H,32,37)(H,31,33,39)/t30-/m0/s1.
What are the key properties of 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 538.61 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 44570616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).