4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole

C17H14F2N2 — CID 81455031

IUPAC4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CCCc4ccccc43)[nH]c2c1
InChIInChI=1S/C17H14F2N2/c18-11-8-14(19)16-15(9-11)20-17(21-16)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,20,21)
InChIKeyHYQYVQLSGWUVPM-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.31
Rot. Bonds1

About 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole

4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole (PubChem CID 81455031) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
PubChem CID81455031
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CCCc4ccccc43)[nH]c2c1
InChIInChI=1S/C17H14F2N2/c18-11-8-14(19)16-15(9-11)20-17(21-16)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,20,21)
InChIKeyHYQYVQLSGWUVPM-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81448504
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 103977518
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
CID 81462663
5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
CID 106476770
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65406764
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole (CID 81455031) is 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole is Fc1cc(F)c2nc(C3CCCc4ccccc43)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole?
The InChIKey is HYQYVQLSGWUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-11-8-14(19)16-15(9-11)20-17(21-16)13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H,20,21).
What are the key properties of 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole?
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole has a molecular weight of 284.31 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole is sourced from PubChem (CID 81455031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).