(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C19H21N3O2 — CID 27210193

IUPAC(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-9-22-17-8-4-3-7-16(17)20-19(22)14-11-18(23)21(12-14)13-15-6-5-10-24-15/h3-8,10,14H,2,9,11-13H2,1H3/t14-/m0/s1
InChIKeyXSAZCGREMNGRHB-AWEZNQCLSA-N
MW323.40 g/mol
LogP3.56
Rot. Bonds5

About (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 27210193) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID27210193
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-9-22-17-8-4-3-7-16(17)20-19(22)14-11-18(23)21(12-14)13-15-6-5-10-24-15/h3-8,10,14H,2,9,11-13H2,1H3/t14-/m0/s1
InChIKeyXSAZCGREMNGRHB-AWEZNQCLSA-N
XLogP3.56
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 27210193) is (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c([C@H]2CC(=O)N(Cc3ccco3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is XSAZCGREMNGRHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-9-22-17-8-4-3-7-16(17)20-19(22)14-11-18(23)21(12-14)13-15-6-5-10-24-15/h3-8,10,14H,2,9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 323.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 27210193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).