2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C21H16F2N6O — CID 162722124

IUPAC2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCn1cnc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)ccc21
InChIInChI=1S/C21H16F2N6O/c1-28-11-24-16-8-15(6-7-18(16)28)17-10-29(12-25-17)9-13-2-4-14(5-3-13)20-26-27-21(30-20)19(22)23/h2-8,10-12,19H,9H2,1H3
InChIKeyUJAIXMDYCQPANH-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.47
Rot. Bonds5

About 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722124) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722124
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCn1cnc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)ccc21
InChIInChI=1S/C21H16F2N6O/c1-28-11-24-16-8-15(6-7-18(16)28)17-10-29(12-25-17)9-13-2-4-14(5-3-13)20-26-27-21(30-20)19(22)23/h2-8,10-12,19H,9H2,1H3
InChIKeyUJAIXMDYCQPANH-UHFFFAOYSA-N
XLogP4.47
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

1-methyl-6-[5-[[3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]-1H-benzimidazole
CID 44590565
5-(5-(2,4-Difluorophenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433261
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
2-(2-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156016511
2-(4-Fluorophenyl)-5-[[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole
CID 156021508
2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 162665124
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(2,3,5-trimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164610821
5-[2-fluoro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164615545
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164622758
5-[4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 164628979

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722124) is 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is Cn1cnc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)cn3)ccc21.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is UJAIXMDYCQPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O/c1-28-11-24-16-8-15(6-7-18(16)28)17-10-29(12-25-17)9-13-2-4-14(5-3-13)20-26-27-21(30-20)19(22)23/h2-8,10-12,19H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 406.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[4-(1-methylbenzimidazol-5-yl)imidazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).