8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline

C19H16FN3S — CID 38827126

IUPAC8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline
SMILESCCn1c(SCc2cc(F)cc3cccnc23)nc2ccccc21
InChIInChI=1S/C19H16FN3S/c1-2-23-17-8-4-3-7-16(17)22-19(23)24-12-14-11-15(20)10-13-6-5-9-21-18(13)14/h3-11H,2,12H2,1H3
InChIKeyFPVVYQVARRGPJQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.04
Rot. Bonds4

About 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline

8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline (PubChem CID 38827126) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline
PubChem CID38827126
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC Name8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline
SMILESCCn1c(SCc2cc(F)cc3cccnc23)nc2ccccc21
InChIInChI=1S/C19H16FN3S/c1-2-23-17-8-4-3-7-16(17)22-19(23)24-12-14-11-15(20)10-13-6-5-9-21-18(13)14/h3-11H,2,12H2,1H3
InChIKeyFPVVYQVARRGPJQ-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014
2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 112819129
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
3-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 17017814
8-[[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-fluoroquinoline
CID 38837928
3-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 38829878
1-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
CID 17027953
6-fluoro-8-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline
CID 47025957
ethyl 1-ethyl-2-[(2-fluorophenyl)methylsulfanyl]benzimidazole-5-carboxylate
CID 4683127
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 38833062
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline?
The IUPAC name of 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline (CID 38827126) is 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline?
The canonical SMILES for 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline is CCn1c(SCc2cc(F)cc3cccnc23)nc2ccccc21.
What is the InChIKey of 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline?
The InChIKey is FPVVYQVARRGPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-2-23-17-8-4-3-7-16(17)22-19(23)24-12-14-11-15(20)10-13-6-5-9-21-18(13)14/h3-11H,2,12H2,1H3.
What are the key properties of 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline?
8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline has a molecular weight of 337.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline is sourced from PubChem (CID 38827126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).