4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one

C13H16N4O — CID 83543998

IUPAC4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
SMILESCn1cnc2cc(N3CC(CN)CC3=O)ccc21
InChIInChI=1S/C13H16N4O/c1-16-8-15-11-5-10(2-3-12(11)16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyPCYOCNIUXOBDFN-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.88
Rot. Bonds2

About 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one (PubChem CID 83543998) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
PubChem CID83543998
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
SMILESCn1cnc2cc(N3CC(CN)CC3=O)ccc21
InChIInChI=1S/C13H16N4O/c1-16-8-15-11-5-10(2-3-12(11)16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyPCYOCNIUXOBDFN-UHFFFAOYSA-N
XLogP0.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-(1-methylindazol-6-yl)pyrrolidin-2-one
CID 168660102
4-(aminomethyl)-1-(1-methylindazol-5-yl)pyrrolidin-2-one
CID 168660104
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
CID 168660692
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,3-dihydroisoindol-1-one
CID 168660659
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
4-(aminomethyl)-1-(3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
CID 168661104

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one (CID 83543998) is 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one is Cn1cnc2cc(N3CC(CN)CC3=O)ccc21.
What is the InChIKey of 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
The InChIKey is PCYOCNIUXOBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-8-15-11-5-10(2-3-12(11)16)17-7-9(6-14)4-13(17)18/h2-3,5,8-9H,4,6-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 83543998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).