N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H17N5O2S — CID 155492188

IUPACN-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)C1CC(=O)N(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H17N5O2S/c26-18-8-13(10-25(18)20-24-15-3-1-2-4-17(15)28-20)19(27)21-9-12-5-6-14-16(7-12)23-11-22-14/h1-7,11,13H,8-10H2,(H,21,27)(H,22,23)
InChIKeyVMZXCDKOMADZLW-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.84
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 155492188) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID155492188
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)C1CC(=O)N(c2nc3ccccc3s2)C1
InChIInChI=1S/C20H17N5O2S/c26-18-8-13(10-25(18)20-24-15-3-1-2-4-17(15)28-20)19(27)21-9-12-5-6-14-16(7-12)23-11-22-14/h1-7,11,13H,8-10H2,(H,21,27)(H,22,23)
InChIKeyVMZXCDKOMADZLW-UHFFFAOYSA-N
XLogP2.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
1-(1,3-benzothiazol-2-yl)-5-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155508099
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155939716
1-(1,3-benzothiazol-2-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 155502490
N-[(4-cyanophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154820368
(3S)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077557
(3R)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94077556
1-(1,3-benzothiazol-2-yl)-N-[1-(methoxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 155508924
(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 126453695
1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 154563363
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46588771
1-(1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604098

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 155492188) is N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc2nc[nH]c2c1)C1CC(=O)N(c2nc3ccccc3s2)C1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VMZXCDKOMADZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-18-8-13(10-25(18)20-24-15-3-1-2-4-17(15)28-20)19(27)21-9-12-5-6-14-16(7-12)23-11-22-14/h1-7,11,13H,8-10H2,(H,21,27)(H,22,23).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155492188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).