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

C15H17N3O — CID 40713858

IUPAC(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1CC1CC1
InChIInChI=1S/C15H17N3O/c19-14-7-11(9-18(14)8-10-5-6-10)15-16-12-3-1-2-4-13(12)17-15/h1-4,10-11H,5-9H2,(H,16,17)/t11-/m0/s1
InChIKeyVLGJDWCANOPYBF-NSHDSACASA-N
MW255.32 g/mol
LogP2.29
Rot. Bonds3

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

(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one (PubChem CID 40713858) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
PubChem CID40713858
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2nc3ccccc3[nH]2)CN1CC1CC1
InChIInChI=1S/C15H17N3O/c19-14-7-11(9-18(14)8-10-5-6-10)15-16-12-3-1-2-4-13(12)17-15/h1-4,10-11H,5-9H2,(H,16,17)/t11-/m0/s1
InChIKeyVLGJDWCANOPYBF-NSHDSACASA-N
XLogP2.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
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4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
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(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
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(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one (CID 40713858) is (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one is O=C1C[C@H](c2nc3ccccc3[nH]2)CN1CC1CC1.
What is the InChIKey of (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
The InChIKey is VLGJDWCANOPYBF-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O/c19-14-7-11(9-18(14)8-10-5-6-10)15-16-12-3-1-2-4-13(12)17-15/h1-4,10-11H,5-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one?
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.29, 3 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-(cyclopropylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 40713858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).