(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one

C12H14N4O — CID 70024616

IUPAC(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O
InChIInChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1
InChIKeyWZLWNVYLWWZGHF-VIFPVBQESA-N
MW230.27 g/mol
LogP0.62
Rot. Bonds2

About (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one

(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 70024616) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID70024616
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O
InChIInChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1
InChIKeyWZLWNVYLWWZGHF-VIFPVBQESA-N
XLogP0.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
CID 20680716
S-[1-(3H-benzimidazol-5-ylmethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706151
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
N-[(3S)-1-(3H-benzimidazol-5-ylmethyl)-2-oxopyrrolidin-3-yl]-7-methoxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 70084732
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]cyclohexan-1-one
CID 117039748
(3R)-3-amino-1-[(1-aminoisoquinolin-7-yl)methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 20680693
1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117527
3-amino-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 63296054
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
1-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501641

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one (CID 70024616) is (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one is N[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is WZLWNVYLWWZGHF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 70024616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).