6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole

C17H16F2N2O — CID 89433833

IUPAC6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(C(C)c2nc3ccc(OC(F)F)cc3[nH]2)cc1
InChIInChI=1S/C17H16F2N2O/c1-10-3-5-12(6-4-10)11(2)16-20-14-8-7-13(22-17(18)19)9-15(14)21-16/h3-9,11,17H,1-2H3,(H,20,21)
InChIKeyMIZPCUMXXCQUQA-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.62
Rot. Bonds4

About 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole (PubChem CID 89433833) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
PubChem CID89433833
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(C(C)c2nc3ccc(OC(F)F)cc3[nH]2)cc1
InChIInChI=1S/C17H16F2N2O/c1-10-3-5-12(6-4-10)11(2)16-20-14-8-7-13(22-17(18)19)9-15(14)21-16/h3-9,11,17H,1-2H3,(H,20,21)
InChIKeyMIZPCUMXXCQUQA-UHFFFAOYSA-N
XLogP4.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[(1S)-1-(4-methylphenoxy)ethyl]-1H-benzimidazole
CID 51612369
2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
CID 89433744
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 89433796
2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
CID 123752331
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole (CID 89433833) is 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole is Cc1ccc(C(C)c2nc3ccc(OC(F)F)cc3[nH]2)cc1.
What is the InChIKey of 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole?
The InChIKey is MIZPCUMXXCQUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c1-10-3-5-12(6-4-10)11(2)16-20-14-8-7-13(22-17(18)19)9-15(14)21-16/h3-9,11,17H,1-2H3,(H,20,21).
What are the key properties of 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole?
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole has a molecular weight of 302.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 89433833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).