(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C15H19N3O — CID 40500172

IUPAC(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-3-8-18-13-7-5-4-6-12(13)16-15(18)11-9-14(19)17(2)10-11/h4-7,11H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJFTZJADMAVDHCT-LLVKDONJSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds3

About (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 40500172) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID40500172
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-3-8-18-13-7-5-4-6-12(13)16-15(18)11-9-14(19)17(2)10-11/h4-7,11H,3,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJFTZJADMAVDHCT-LLVKDONJSA-N
XLogP2.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4S)-4-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40634361
(4R)-1-methyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40634337
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
(4S)-1-(furan-2-ylmethyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27210193
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 40500172) is (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21.
What is the InChIKey of (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is JFTZJADMAVDHCT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-8-18-13-7-5-4-6-12(13)16-15(18)11-9-14(19)17(2)10-11/h4-7,11H,3,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 40500172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).