2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole

C15H17F2N3 — CID 115911841

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2c1F
InChIInChI=1S/C15H17F2N3/c16-11-3-4-12-15(14(11)17)20-13(19-12)7-8-5-9-1-2-10(6-8)18-9/h3-4,8-10,18H,1-2,5-7H2,(H,19,20)
InChIKeyHKUHXPVGIGSQGJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.91
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole

2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911841) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911841
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2c1F
InChIInChI=1S/C15H17F2N3/c16-11-3-4-12-15(14(11)17)20-13(19-12)7-8-5-9-1-2-10(6-8)18-9/h3-4,8-10,18H,1-2,5-7H2,(H,19,20)
InChIKeyHKUHXPVGIGSQGJ-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136712
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
CID 112556569
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 22287007
8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine
CID 114607971
2-[(1S)-cyclohex-3-en-1-yl]-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 166280150
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923
5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
CID 166280144
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole (CID 115911841) is 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(CC3CC4CCC(C3)N4)nc2c1F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is HKUHXPVGIGSQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-11-3-4-12-15(14(11)17)20-13(19-12)7-8-5-9-1-2-10(6-8)18-9/h3-4,8-10,18H,1-2,5-7H2,(H,19,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole?
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 277.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).