5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C16H14FN3 — CID 60837691

IUPAC5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc2[nH]c(-c3cccc4c3CCCN4)nc12
InChIInChI=1S/C16H14FN3/c17-12-6-2-8-14-15(12)20-16(19-14)11-4-1-7-13-10(11)5-3-9-18-13/h1-2,4,6-8,18H,3,5,9H2,(H,19,20)
InChIKeyRFZAWUITPALCIR-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.73
Rot. Bonds1

About 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 60837691) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID60837691
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc2[nH]c(-c3cccc4c3CCCN4)nc12
InChIInChI=1S/C16H14FN3/c17-12-6-2-8-14-15(12)20-16(19-14)11-4-1-7-13-10(11)5-3-9-18-13/h1-2,4,6-8,18H,3,5,9H2,(H,19,20)
InChIKeyRFZAWUITPALCIR-UHFFFAOYSA-N
XLogP3.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 115911844
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
CID 135387685

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 60837691) is 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is Fc1cccc2[nH]c(-c3cccc4c3CCCN4)nc12.
What is the InChIKey of 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RFZAWUITPALCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-12-6-2-8-14-15(12)20-16(19-14)11-4-1-7-13-10(11)5-3-9-18-13/h1-2,4,6-8,18H,3,5,9H2,(H,19,20).
What are the key properties of 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.31 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 60837691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).