(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

C23H27N3O2 — CID 40698817

IUPAC(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-3-5-14-25-19-11-7-6-10-18(19)24-23(25)17-15-22(27)26(16-17)20-12-8-9-13-21(20)28-4-2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m0/s1
InChIKeyOJVPZSDMUYZSPY-KRWDZBQOSA-N
MW377.49 g/mol
LogP4.76
Rot. Bonds7

About (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one

(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 40698817) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
PubChem CID40698817
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
SMILESCCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-3-5-14-25-19-11-7-6-10-18(19)24-23(25)17-15-22(27)26(16-17)20-12-8-9-13-21(20)28-4-2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m0/s1
InChIKeyOJVPZSDMUYZSPY-KRWDZBQOSA-N
XLogP4.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889343
1-(2-ethoxyphenyl)-4-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003765
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889360
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
(4R)-1-(2-ethoxyphenyl)-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40964397
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 17003746
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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one (CID 40698817) is (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one is CCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21.
What is the InChIKey of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is OJVPZSDMUYZSPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-5-14-25-19-11-7-6-10-18(19)24-23(25)17-15-22(27)26(16-17)20-12-8-9-13-21(20)28-4-2/h6-13,17H,3-5,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one?
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40698817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).