N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C18H20N6O2S — CID 154823606

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)s1
InChIInChI=1S/C18H20N6O2S/c1-2-15-22-23-18(27-15)24-10-11(9-16(24)25)17(26)19-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10H2,1H3,(H,19,26)(H,20,21)
InChIKeyLZHBBJSXQZOPQT-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154823606) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154823606
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)s1
InChIInChI=1S/C18H20N6O2S/c1-2-15-22-23-18(27-15)24-10-11(9-16(24)25)17(26)19-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10H2,1H3,(H,19,26)(H,20,21)
InChIKeyLZHBBJSXQZOPQT-UHFFFAOYSA-N
XLogP1.69
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508277
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 134009710
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499730
(3R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97207756
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155915672
1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 154817834
formic acid;N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155940112
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 155498369
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78790796

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 154823606) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)NCCc3nc4ccccc4[nH]3)CC2=O)s1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LZHBBJSXQZOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-2-15-22-23-18(27-15)24-10-11(9-16(24)25)17(26)19-8-7-14-20-12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10H2,1H3,(H,19,26)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154823606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).