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

C20H15F2N7O — CID 162722053

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)c3)cc2[nH]1
InChIInChI=1S/C20H15F2N7O/c21-17(22)19-28-27-18(30-19)12-3-1-11(2-4-12)9-29-10-14(8-24-29)13-5-6-15-16(7-13)26-20(23)25-15/h1-8,10,17H,9H2,(H3,23,25,26)
InChIKeyRYYIVFBPHOEFKM-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.04
Rot. Bonds5

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

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine (PubChem CID 162722053) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
PubChem CID162722053
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)c3)cc2[nH]1
InChIInChI=1S/C20H15F2N7O/c21-17(22)19-28-27-18(30-19)12-3-1-11(2-4-12)9-29-10-14(8-24-29)13-5-6-15-16(7-13)26-20(23)25-15/h1-8,10,17H,9H2,(H3,23,25,26)
InChIKeyRYYIVFBPHOEFKM-UHFFFAOYSA-N
XLogP4.04
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine (CID 162722053) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine is Nc1nc2ccc(-c3cnn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)c3)cc2[nH]1.
What is the InChIKey of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
The InChIKey is RYYIVFBPHOEFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O/c21-17(22)19-28-27-18(30-19)12-3-1-11(2-4-12)9-29-10-14(8-24-29)13-5-6-15-16(7-13)26-20(23)25-15/h1-8,10,17H,9H2,(H3,23,25,26).
What are the key properties of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine has a molecular weight of 407.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 162722053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).