6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C16H13F2N3 — CID 115911844

IUPAC6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2[nH]c(-c3ccc4c(c3)CCCN4)nc2c1F
InChIInChI=1S/C16H13F2N3/c17-11-4-6-13-15(14(11)18)21-16(20-13)10-3-5-12-9(8-10)2-1-7-19-12/h3-6,8,19H,1-2,7H2,(H,20,21)
InChIKeyULLQWQHMTSWWJX-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.87
Rot. Bonds1

About 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 115911844) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID115911844
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2[nH]c(-c3ccc4c(c3)CCCN4)nc2c1F
InChIInChI=1S/C16H13F2N3/c17-11-4-6-13-15(14(11)18)21-16(20-13)10-3-5-12-9(8-10)2-1-7-19-12/h3-6,8,19H,1-2,7H2,(H,20,21)
InChIKeyULLQWQHMTSWWJX-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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Related Compounds

6-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81448401
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 82005414
2-(1,2,3,4-tetrahydroquinolin-6-yl)-3H-benzimidazol-5-ol
CID 81429590
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
2-(2,3-dihydro-1H-indol-5-yl)-6-fluoro-1H-benzimidazole
CID 60785781
6-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 63722465
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
6-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500792
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 115911844) is 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is Fc1ccc2[nH]c(-c3ccc4c(c3)CCCN4)nc2c1F.
What is the InChIKey of 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ULLQWQHMTSWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-4-6-13-15(14(11)18)21-16(20-13)10-3-5-12-9(8-10)2-1-7-19-12/h3-6,8,19H,1-2,7H2,(H,20,21).
What are the key properties of 6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(4,5-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-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115911844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).