4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide

C18H17N3OS — CID 31765000

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-10-19-18(22)14-6-8-16(9-7-14)23-13-15-12-21-11-4-3-5-17(21)20-15/h2-9,11-12H,1,10,13H2,(H,19,22)
InChIKeyQTOKYAIVSKHFCU-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.54
Rot. Bonds6

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide (PubChem CID 31765000) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
PubChem CID31765000
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C18H17N3OS/c1-2-10-19-18(22)14-6-8-16(9-7-14)23-13-15-12-21-11-4-3-5-17(21)20-15/h2-9,11-12H,1,10,13H2,(H,19,22)
InChIKeyQTOKYAIVSKHFCU-UHFFFAOYSA-N
XLogP3.54
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide (CID 31765000) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide?
The InChIKey is QTOKYAIVSKHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-10-19-18(22)14-6-8-16(9-7-14)23-13-15-12-21-11-4-3-5-17(21)20-15/h2-9,11-12H,1,10,13H2,(H,19,22).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide has a molecular weight of 323.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 31765000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).