N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide

C28H28N4O3 — CID 17005016

IUPACN-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-30(21-9-5-4-6-10-21)27(34)19-32-25-12-8-7-11-24(25)29-28(32)20-17-26(33)31(18-20)22-13-15-23(35-2)16-14-22/h4-16,20H,3,17-19H2,1-2H3
InChIKeyDAPKLYUPVREYRH-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.62
Rot. Bonds7

About N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide

N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 17005016) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
PubChem CID17005016
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(C2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-3-30(21-9-5-4-6-10-21)27(34)19-32-25-12-8-7-11-24(25)29-28(32)20-17-26(33)31(18-20)22-13-15-23(35-2)16-14-22/h4-16,20H,3,17-19H2,1-2H3
InChIKeyDAPKLYUPVREYRH-UHFFFAOYSA-N
XLogP4.62
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
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)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 35179943
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
(4R)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40841127
(4R)-1-(4-ethoxyphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775581

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide (CID 17005016) is N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1c(C2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is DAPKLYUPVREYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-3-30(21-9-5-4-6-10-21)27(34)19-32-25-12-8-7-11-24(25)29-28(32)20-17-26(33)31(18-20)22-13-15-23(35-2)16-14-22/h4-16,20H,3,17-19H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 468.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 17005016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).