7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide

C22H21ClN6O3S — CID 10174248

IUPAC7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(Sc2nc3ccc(Cl)cc3[nH]2)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H21ClN6O3S/c23-13-4-5-14-15(11-13)27-22(26-14)33-17-10-12(9-16-19(17)28-21(32)25-16)20(31)24-6-2-8-29-7-1-3-18(29)30/h4-5,9-11H,1-3,6-8H2,(H,24,31)(H,26,27)(H2,25,28,32)
InChIKeyZRPIYCZVEZPCGP-UHFFFAOYSA-N
MW484.97 g/mol
LogP3.28
Rot. Bonds7

About 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide

7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 10174248) has the molecular formula C22H21ClN6O3S and a molecular weight of 484.97 g/mol. Its IUPAC name is 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID10174248
Molecular FormulaC22H21ClN6O3S
Molecular Weight484.97 g/mol
Exact Mass484.11
IUPAC Name7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(Sc2nc3ccc(Cl)cc3[nH]2)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H21ClN6O3S/c23-13-4-5-14-15(11-13)27-22(26-14)33-17-10-12(9-16-19(17)28-21(32)25-16)20(31)24-6-2-8-29-7-1-3-18(29)30/h4-5,9-11H,1-3,6-8H2,(H,24,31)(H,26,27)(H2,25,28,32)
InChIKeyZRPIYCZVEZPCGP-UHFFFAOYSA-N
XLogP3.28
TPSA126.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide (CID 10174248) is 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cc(Sc2nc3ccc(Cl)cc3[nH]2)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is ZRPIYCZVEZPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O3S/c23-13-4-5-14-15(11-13)27-22(26-14)33-17-10-12(9-16-19(17)28-21(32)25-16)20(31)24-6-2-8-29-7-1-3-18(29)30/h4-5,9-11H,1-3,6-8H2,(H,24,31)(H,26,27)(H2,25,28,32).
What are the key properties of 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide?
7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 10174248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).