2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

C28H34N4O4 — CID 16965011

IUPAC2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21
InChIInChI=1S/C28H34N4O4/c1-18(2)13-30(14-19(3)4)27(34)16-32-23-8-6-5-7-22(23)29-28(32)20-11-26(33)31(15-20)21-9-10-24-25(12-21)36-17-35-24/h5-10,12,18-20H,11,13-17H2,1-4H3
InChIKeyUDDHSAWSIAQLKG-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.43
Rot. Bonds8

About 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 16965011) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID16965011
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21
InChIInChI=1S/C28H34N4O4/c1-18(2)13-30(14-19(3)4)27(34)16-32-23-8-6-5-7-22(23)29-28(32)20-11-26(33)31(15-20)21-9-10-24-25(12-21)36-17-35-24/h5-10,12,18-20H,11,13-17H2,1-4H3
InChIKeyUDDHSAWSIAQLKG-UHFFFAOYSA-N
XLogP4.43
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19242486
1-(1,3-benzodioxol-5-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964878
2-[2-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965173
1-(1,3-benzodioxol-5-yl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964882
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964716
1-(1,3-benzodioxol-5-yl)-4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964916
4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 16964735
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 16965011) is 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(C2CC(=O)N(c3ccc4c(c3)OCO4)C2)nc2ccccc21.
What is the InChIKey of 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is UDDHSAWSIAQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18(2)13-30(14-19(3)4)27(34)16-32-23-8-6-5-7-22(23)29-28(32)20-11-26(33)31(15-20)21-9-10-24-25(12-21)36-17-35-24/h5-10,12,18-20H,11,13-17H2,1-4H3.
What are the key properties of 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 490.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 16965011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).