5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine

C19H15F2N9O — CID 162721925

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc21
InChIInChI=1S/C19H15F2N9O/c1-29-15-5-3-10(6-13(15)24-19(29)22)14-9-30(28-25-14)8-12-4-2-11(7-23-12)17-26-27-18(31-17)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,24)
InChIKeyXPHWMPZXOJFZID-UHFFFAOYSA-N
MW423.39 g/mol
LogP2.84
Rot. Bonds5

About 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine (PubChem CID 162721925) has the molecular formula C19H15F2N9O and a molecular weight of 423.39 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
PubChem CID162721925
Molecular FormulaC19H15F2N9O
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc21
InChIInChI=1S/C19H15F2N9O/c1-29-15-5-3-10(6-13(15)24-19(29)22)14-9-30(28-25-14)8-12-4-2-11(7-23-12)17-26-27-18(31-17)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,24)
InChIKeyXPHWMPZXOJFZID-UHFFFAOYSA-N
XLogP2.84
TPSA126.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine?
The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine (CID 162721925) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc21.
What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine?
The InChIKey is XPHWMPZXOJFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N9O/c1-29-15-5-3-10(6-13(15)24-19(29)22)14-9-30(28-25-14)8-12-4-2-11(7-23-12)17-26-27-18(31-17)16(20)21/h2-7,9,16H,8H2,1H3,(H2,22,24).
What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine has a molecular weight of 423.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 162721925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).