3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine

C16H11FN4 — CID 68765479

IUPAC3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cnc2ccc(F)cc12
InChIInChI=1S/C16H11FN4/c17-9-5-6-12-10(7-9)15(18)11(8-19-12)16-20-13-3-1-2-4-14(13)21-16/h1-8H,(H2,18,19)(H,20,21)
InChIKeyIYJBNLIEWPXBNQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.50
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine

3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine (PubChem CID 68765479) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
PubChem CID68765479
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cnc2ccc(F)cc12
InChIInChI=1S/C16H11FN4/c17-9-5-6-12-10(7-9)15(18)11(8-19-12)16-20-13-3-1-2-4-14(13)21-16/h1-8H,(H2,18,19)(H,20,21)
InChIKeyIYJBNLIEWPXBNQ-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
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[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
CID 56796622
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
3-(1H-benzimidazol-2-yl)-5-pyridin-4-ylpyridin-2-amine
CID 50923466
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
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2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine (CID 68765479) is 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine is Nc1c(-c2nc3ccccc3[nH]2)cnc2ccc(F)cc12.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine?
The InChIKey is IYJBNLIEWPXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-9-5-6-12-10(7-9)15(18)11(8-19-12)16-20-13-3-1-2-4-14(13)21-16/h1-8H,(H2,18,19)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine?
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine has a molecular weight of 278.29 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine is sourced from PubChem (CID 68765479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).