(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one

C12H13N3O — CID 40500171

IUPAC(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C12H13N3O/c1-15-7-8(6-11(15)16)12-13-9-4-2-3-5-10(9)14-12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyDWTXHCFCKTWWTF-QMMMGPOBSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds1

About (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one

(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one (PubChem CID 40500171) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
PubChem CID40500171
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C12H13N3O/c1-15-7-8(6-11(15)16)12-13-9-4-2-3-5-10(9)14-12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyDWTXHCFCKTWWTF-QMMMGPOBSA-N
XLogP1.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
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
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080677
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 40712600
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125163006

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one (CID 40500171) is (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one is CN1C[C@@H](c2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one?
The InChIKey is DWTXHCFCKTWWTF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-7-8(6-11(15)16)12-13-9-4-2-3-5-10(9)14-12/h2-5,8H,6-7H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one?
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 40500171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).