2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

C19H12ClF2N3OS — CID 9360679

IUPAC2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccn2c(NC(=O)c3cc(F)c(F)cc3Cl)c(-c3cccs3)nc2c1
InChIInChI=1S/C19H12ClF2N3OS/c1-10-4-5-25-16(7-10)23-17(15-3-2-6-27-15)18(25)24-19(26)11-8-13(21)14(22)9-12(11)20/h2-9H,1H3,(H,24,26)
InChIKeyCTJHOAKGTIPINB-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.56
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 9360679) has the molecular formula C19H12ClF2N3OS and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID9360679
Molecular FormulaC19H12ClF2N3OS
Molecular Weight403.84 g/mol
Exact Mass403.04
IUPAC Name2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccn2c(NC(=O)c3cc(F)c(F)cc3Cl)c(-c3cccs3)nc2c1
InChIInChI=1S/C19H12ClF2N3OS/c1-10-4-5-25-16(7-10)23-17(15-3-2-6-27-15)18(25)24-19(26)11-8-13(21)14(22)9-12(11)20/h2-9H,1H3,(H,24,26)
InChIKeyCTJHOAKGTIPINB-UHFFFAOYSA-N
XLogP5.56
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 9360679) is 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is Cc1ccn2c(NC(=O)c3cc(F)c(F)cc3Cl)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is CTJHOAKGTIPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3OS/c1-10-4-5-25-16(7-10)23-17(15-3-2-6-27-15)18(25)24-19(26)11-8-13(21)14(22)9-12(11)20/h2-9H,1H3,(H,24,26).
What are the key properties of 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 403.84 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 9360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).