2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide

C24H21ClN4O2S — CID 35696945

IUPAC2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-6-2-1-5-20(21)24(31)27-13-12-26-23(30)17-8-10-19(11-9-17)32-16-18-15-29-14-4-3-7-22(29)28-18/h1-11,14-15H,12-13,16H2,(H,26,30)(H,27,31)
InChIKeyREAGVLBHOVDCOT-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.44
Rot. Bonds8

About 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide (PubChem CID 35696945) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
PubChem CID35696945
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C24H21ClN4O2S/c25-21-6-2-1-5-20(21)24(31)27-13-12-26-23(30)17-8-10-19(11-9-17)32-16-18-15-29-14-4-3-7-22(29)28-18/h1-11,14-15H,12-13,16H2,(H,26,30)(H,27,31)
InChIKeyREAGVLBHOVDCOT-UHFFFAOYSA-N
XLogP4.44
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide (CID 35696945) is 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is REAGVLBHOVDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-21-6-2-1-5-20(21)24(31)27-13-12-26-23(30)17-8-10-19(11-9-17)32-16-18-15-29-14-4-3-7-22(29)28-18/h1-11,14-15H,12-13,16H2,(H,26,30)(H,27,31).
What are the key properties of 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 464.98 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 35696945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).