6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C16H13F2N3 — CID 81448401

IUPAC6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(F)c2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1
InChIInChI=1S/C16H13F2N3/c17-11-7-12(18)15-14(8-11)20-16(21-15)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21)
InChIKeyVIUWJMLYMVIJOD-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.87
Rot. Bonds1

About 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81448401) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81448401
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(F)c2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1
InChIInChI=1S/C16H13F2N3/c17-11-7-12(18)15-14(8-11)20-16(21-15)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21)
InChIKeyVIUWJMLYMVIJOD-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 81448401) is 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is Fc1cc(F)c2nc(-c3ccc4c(c3)CCCN4)[nH]c2c1.
What is the InChIKey of 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VIUWJMLYMVIJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-7-12(18)15-14(8-11)20-16(21-15)10-3-4-13-9(6-10)2-1-5-19-13/h3-4,6-8,19H,1-2,5H2,(H,20,21).
What are the key properties of 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.30 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81448401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).