(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one

C17H19N3O2 — CID 92717179

IUPAC(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-8-20-15-7-5-4-6-14(15)18-17(20)13-11-16(21)19(12-13)9-10-22-2/h1,4-7,13H,8-12H2,2H3/t13-/m0/s1
InChIKeyFWYJYFURYOKPRX-ZDUSSCGKSA-N
MW297.36 g/mol
LogP1.63
Rot. Bonds5

About (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 92717179) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID92717179
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESC#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-8-20-15-7-5-4-6-14(15)18-17(20)13-11-16(21)19(12-13)9-10-22-2/h1,4-7,13H,8-12H2,2H3/t13-/m0/s1
InChIKeyFWYJYFURYOKPRX-ZDUSSCGKSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
(4S)-1-[(4-methoxyphenyl)methyl]-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40823659
(4R)-1-(2,5-dimethoxyphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080640
(4S)-1-(2-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698808
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
(4R)-1-(2-bromophenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080570
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-(2,3-dimethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4753961
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
(4R)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40841127
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717240

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one (CID 92717179) is (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one is C#CCn1c([C@H]2CC(=O)N(CCOC)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is FWYJYFURYOKPRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-8-20-15-7-5-4-6-14(15)18-17(20)13-11-16(21)19(12-13)9-10-22-2/h1,4-7,13H,8-12H2,2H3/t13-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 92717179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).