2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

C24H28N4O2 — CID 40841095

IUPAC2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCCCCN1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O
InChIInChI=1S/C24H28N4O2/c1-3-4-14-27-16-18(15-22(27)29)24-25-20-12-8-9-13-21(20)28(24)17-23(30)26(2)19-10-6-5-7-11-19/h5-13,18H,3-4,14-17H2,1-2H3/t18-/m1/s1
InChIKeyKZMCCEDZYKXAFN-GOSISDBHSA-N
MW404.51 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 40841095) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID40841095
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCCCCN1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O
InChIInChI=1S/C24H28N4O2/c1-3-4-14-27-16-18(15-22(27)29)24-25-20-12-8-9-13-21(20)28(24)17-23(30)26(2)19-10-6-5-7-11-19/h5-13,18H,3-4,14-17H2,1-2H3/t18-/m1/s1
InChIKeyKZMCCEDZYKXAFN-GOSISDBHSA-N
XLogP3.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 17005510
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17002492
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
2-[2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 35179935

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (CID 40841095) is 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is CCCCN1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O.
What is the InChIKey of 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is KZMCCEDZYKXAFN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-4-14-27-16-18(15-22(27)29)24-25-20-12-8-9-13-21(20)28(24)17-23(30)26(2)19-10-6-5-7-11-19/h5-13,18H,3-4,14-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 40841095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).