(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

C25H30N4O3 — CID 92717220

IUPAC(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-2-32-21-9-7-20(8-10-21)29-18-19(17-24(29)30)25-26-22-5-3-4-6-23(22)28(25)12-11-27-13-15-31-16-14-27/h3-10,19H,2,11-18H2,1H3/t19-/m0/s1
InChIKeyHUIXPTZDJWEWLH-IBGZPJMESA-N
MW434.54 g/mol
LogP3.29
Rot. Bonds7

About (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one

(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 92717220) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID92717220
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-2-32-21-9-7-20(8-10-21)29-18-19(17-24(29)30)25-26-22-5-3-4-6-23(22)28(25)12-11-27-13-15-31-16-14-27/h3-10,19H,2,11-18H2,1H3/t19-/m0/s1
InChIKeyHUIXPTZDJWEWLH-IBGZPJMESA-N
XLogP3.29
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40639936
(4R)-1-(4-ethoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574568
(4S)-1-(4-chlorophenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717112
(4R)-1-(4-ethoxyphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775581
(4S)-1-(4-ethoxyphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40775584
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486
1-(4-ethoxyphenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18878739
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 17005221
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 4754494
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 4630375
(4S)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7011289
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 18878745

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 92717220) is (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one is CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is HUIXPTZDJWEWLH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-32-21-9-7-20(8-10-21)29-18-19(17-24(29)30)25-26-22-5-3-4-6-23(22)28(25)12-11-27-13-15-31-16-14-27/h3-10,19H,2,11-18H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 434.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 92717220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).