6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one

C19H14F2N8O2 — CID 162722533

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)ccc21
InChIInChI=1S/C19H14F2N8O2/c1-28-14-7-6-12(8-13(14)22-19(28)30)16-23-27-29(26-16)9-10-2-4-11(5-3-10)17-24-25-18(31-17)15(20)21/h2-8,15H,9H2,1H3,(H,22,30)
InChIKeyNRMQQHSDSCTHDH-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.56
Rot. Bonds5

About 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one (PubChem CID 162722533) has the molecular formula C19H14F2N8O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one
PubChem CID162722533
Molecular FormulaC19H14F2N8O2
Molecular Weight424.37 g/mol
Exact Mass424.12
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)ccc21
InChIInChI=1S/C19H14F2N8O2/c1-28-14-7-6-12(8-13(14)22-19(28)30)16-23-27-29(26-16)9-10-2-4-11(5-3-10)17-24-25-18(31-17)15(20)21/h2-8,15H,9H2,1H3,(H,22,30)
InChIKeyNRMQQHSDSCTHDH-UHFFFAOYSA-N
XLogP2.56
TPSA120.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]phenyl]morpholine-4-carboxamide
CID 162721999
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 162722096
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]tetrazol-5-yl]-1-methylbenzimidazol-2-amine
CID 162722099
2-(Difluoromethyl)-5-[4-[[5-(3-fluoro-4-piperazin-1-ylphenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722102
7-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 162722214
N-(3-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)phenyl)benzamide
CID 162722254
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]-1-methylbenzimidazol-2-amine
CID 162722268
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-1-methylbenzimidazol-2-amine
CID 162722329
4-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)-N1-methylbenzene-1,2-diamine
CID 162722352
6-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 162722392
N-(5-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)-2-(methylamino)phenyl)morpholine-4-carboxamide
CID 162722410
7-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 162722607

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one (CID 162722533) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)n3)ccc21.
What is the InChIKey of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is NRMQQHSDSCTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N8O2/c1-28-14-7-6-12(8-13(14)22-19(28)30)16-23-27-29(26-16)9-10-2-4-11(5-3-10)17-24-25-18(31-17)15(20)21/h2-8,15H,9H2,1H3,(H,22,30).
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 424.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 162722533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).