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

C16H15N3O2 — CID 40712600

IUPAC(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1Cc1ccco1
InChIInChI=1S/C16H15N3O2/c20-15-8-11(9-19(15)10-12-4-3-7-21-12)16-17-13-5-1-2-6-14(13)18-16/h1-7,11H,8-10H2,(H,17,18)/t11-/m0/s1
InChIKeyYHLYABZTVZKGBK-NSHDSACASA-N
MW281.31 g/mol
LogP2.67
Rot. Bonds3

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

(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 40712600) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID40712600
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1Cc1ccco1
InChIInChI=1S/C16H15N3O2/c20-15-8-11(9-19(15)10-12-4-3-7-21-12)16-17-13-5-1-2-6-14(13)18-16/h1-7,11H,8-10H2,(H,17,18)/t11-/m0/s1
InChIKeyYHLYABZTVZKGBK-NSHDSACASA-N
XLogP2.67
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 96520264
(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27210193
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 93237874
(4S)-1-(furan-2-ylmethyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 51896258
[1-(furan-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682162

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 40712600) is (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one is O=C1C[C@H](c2nc3ccccc3[nH]2)CN1Cc1ccco1.
What is the InChIKey of (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is YHLYABZTVZKGBK-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-8-11(9-19(15)10-12-4-3-7-21-12)16-17-13-5-1-2-6-14(13)18-16/h1-7,11H,8-10H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 40712600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).