2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C30H32N4O3 — CID 40852415

IUPAC2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O
InChIInChI=1S/C30H32N4O3/c1-4-37-27-17-11-10-16-26(27)32-19-22(18-28(32)35)30-31-24-14-8-9-15-25(24)33(30)20-29(36)34(21(2)3)23-12-6-5-7-13-23/h5-17,21-22H,4,18-20H2,1-3H3/t22-/m0/s1
InChIKeyKINXKWNYUFTPOV-QFIPXVFZSA-N
MW496.61 g/mol
LogP5.40
Rot. Bonds8

About 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 40852415) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID40852415
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O
InChIInChI=1S/C30H32N4O3/c1-4-37-27-17-11-10-16-26(27)32-19-22(18-28(32)35)30-31-24-14-8-9-15-25(24)33(30)20-29(36)34(21(2)3)23-12-6-5-7-13-23/h5-17,21-22H,4,18-20H2,1-3H3/t22-/m0/s1
InChIKeyKINXKWNYUFTPOV-QFIPXVFZSA-N
XLogP5.40
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-4-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003786
2-[2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 35179935
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17005169
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
1-(2-ethoxyphenyl)-4-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003765
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
(4S)-1-(2-ethoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40852349
1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003743
(4S)-4-[1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40964395
2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 19242790

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 40852415) is 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)CC1=O.
What is the InChIKey of 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is KINXKWNYUFTPOV-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-4-37-27-17-11-10-16-26(27)32-19-22(18-28(32)35)30-31-24-14-8-9-15-25(24)33(30)20-29(36)34(21(2)3)23-12-6-5-7-13-23/h5-17,21-22H,4,18-20H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 496.61 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 40852415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).