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

C28H36N4O2 — CID 42387120

IUPAC2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(CC(C)C)CC(C)C)CC2=O)c1
InChIInChI=1S/C28H36N4O2/c1-19(2)15-30(16-20(3)4)27(34)18-32-25-12-7-6-11-24(25)29-28(32)22-14-26(33)31(17-22)23-10-8-9-21(5)13-23/h6-13,19-20,22H,14-18H2,1-5H3/t22-/m1/s1
InChIKeyKVIQJDDVMIYFQE-JOCHJYFZSA-N
MW460.62 g/mol
LogP5.01
Rot. Bonds8

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

2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 42387120) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID42387120
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(CC(C)C)CC(C)C)CC2=O)c1
InChIInChI=1S/C28H36N4O2/c1-19(2)15-30(16-20(3)4)27(34)18-32-25-12-7-6-11-24(25)29-28(32)22-14-26(33)31(17-22)23-10-8-9-21(5)13-23/h6-13,19-20,22H,14-18H2,1-5H3/t22-/m1/s1
InChIKeyKVIQJDDVMIYFQE-JOCHJYFZSA-N
XLogP5.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19242486
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
2-[2-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965011
1-(3-methylphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754427
propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17004109
2-[2-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965173
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
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
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387139

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 42387120) is 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(CC(C)C)CC(C)C)CC2=O)c1.
What is the InChIKey of 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is KVIQJDDVMIYFQE-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19(2)15-30(16-20(3)4)27(34)18-32-25-12-7-6-11-24(25)29-28(32)22-14-26(33)31(17-22)23-10-8-9-21(5)13-23/h6-13,19-20,22H,14-18H2,1-5H3/t22-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 460.62 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 42387120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).