4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole

C14H16F2N2O — CID 81462840

IUPAC4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(CCC3CCCCO3)[nH]c2c1
InChIInChI=1S/C14H16F2N2O/c15-9-7-11(16)14-12(8-9)17-13(18-14)5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,17,18)
InChIKeyKJJMRFXYZDUVBD-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.34
Rot. Bonds3

About 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole

4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole (PubChem CID 81462840) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
PubChem CID81462840
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(CCC3CCCCO3)[nH]c2c1
InChIInChI=1S/C14H16F2N2O/c15-9-7-11(16)14-12(8-9)17-13(18-14)5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,17,18)
InChIKeyKJJMRFXYZDUVBD-UHFFFAOYSA-N
XLogP3.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
CID 65155678
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918
N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
2-(2-cyclopentylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947663
2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947050
7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 63950960
2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
2-(2-chloroethyl)-4,6-difluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 115508990

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole (CID 81462840) is 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole is Fc1cc(F)c2nc(CCC3CCCCO3)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole?
The InChIKey is KJJMRFXYZDUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-9-7-11(16)14-12(8-9)17-13(18-14)5-4-10-3-1-2-6-19-10/h7-8,10H,1-6H2,(H,17,18).
What are the key properties of 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole?
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole has a molecular weight of 266.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 81462840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).