6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine

C18H11N3S — CID 62707655

IUPAC6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESc1ccc2c(c1)nc1c3cccnc3cc(-c3ccsc3)n21
InChIInChI=1S/C18H11N3S/c1-2-6-16-14(5-1)20-18-13-4-3-8-19-15(13)10-17(21(16)18)12-7-9-22-11-12/h1-11H
InChIKeyMWSRRGPIMAIZIT-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.76
Rot. Bonds1

About 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine

6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine (PubChem CID 62707655) has the molecular formula C18H11N3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine
PubChem CID62707655
Molecular FormulaC18H11N3S
Molecular Weight301.37 g/mol
Exact Mass301.07
IUPAC Name6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine
SMILESc1ccc2c(c1)nc1c3cccnc3cc(-c3ccsc3)n21
InChIInChI=1S/C18H11N3S/c1-2-6-16-14(5-1)20-18-13-4-3-8-19-15(13)10-17(21(16)18)12-7-9-22-11-12/h1-11H
InChIKeyMWSRRGPIMAIZIT-UHFFFAOYSA-N
XLogP4.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 62707657
26-thia-2,9,15-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163503874
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
7,17-diphenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaene
CID 140956283
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
5-(10-diphenylphosphorylphenanthren-9-yl)-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 163535460
3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18(23),19,21,24-dodecaene
CID 135264608
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
5-thiophen-3-ylbenzo[f]quinoline
CID 132529333
11-[4-[4-(4-benzo[h]quinolin-6-ylphenyl)naphthalen-1-yl]phenyl]-24-thia-3,10-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,11,14,16,18,20,22-undecaene
CID 156515032
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
CID 142328090

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine?
The IUPAC name of 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine (CID 62707655) is 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine.
What is the SMILES notation for 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine?
The canonical SMILES for 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine is c1ccc2c(c1)nc1c3cccnc3cc(-c3ccsc3)n21.
What is the InChIKey of 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine?
The InChIKey is MWSRRGPIMAIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3S/c1-2-6-16-14(5-1)20-18-13-4-3-8-19-15(13)10-17(21(16)18)12-7-9-22-11-12/h1-11H.
What are the key properties of 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine?
6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine has a molecular weight of 301.37 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine is sourced from PubChem (CID 62707655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).