2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole

C23H17F2N5O2 — CID 169290118

IUPAC2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1c(-c2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2)nc2ccccc21
InChIInChI=1S/C23H17F2N5O2/c1-30-19-8-3-2-7-18(19)27-21(30)14-5-4-6-17(11-14)31-13-16-10-9-15(12-26-16)22-28-29-23(32-22)20(24)25/h2-12,20H,13H2,1H3
InChIKeyOGZHNVWGZWPLTL-UHFFFAOYSA-N
MW433.42 g/mol
LogP5.20
Rot. Bonds6

About 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290118) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290118
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCn1c(-c2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2)nc2ccccc21
InChIInChI=1S/C23H17F2N5O2/c1-30-19-8-3-2-7-18(19)27-21(30)14-5-4-6-17(11-14)31-13-16-10-9-15(12-26-16)22-28-29-23(32-22)20(24)25/h2-12,20H,13H2,1H3
InChIKeyOGZHNVWGZWPLTL-UHFFFAOYSA-N
XLogP5.20
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-[(6-methoxy-3-pyridyl)methyl]benzimidazol-2-yl]benzamide
CID 71457554
4-[5-[3-Ethyl-5-(5-methyl-2-furyl)pyrazol-1-yl]-1-(3-pyridylmethyl)benzimidazol-2-yl]benzamide
CID 71459439
6-(1,2-Dimethylbenzimidazol-5-yl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681410
2-[(3-Methoxyphenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127046050
N-cyclohexyl-N-ethyl-2-imidazo[1,2-a]pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 58522797
2-[3-(1-Benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(2,4-difluorophenyl)ethanamine
CID 71295107
2-[1-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]benzimidazol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 118009779
2-[3-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 118009801
US10112944, Example 17
CID 122540223
US11787810, Example 8
CID 162358859
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]methyl]imidazol-4-yl]-1,3-benzoxazol-2-amine
CID 162722324
2-(Difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290118) is 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole is Cn1c(-c2cccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)c2)nc2ccccc21.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is OGZHNVWGZWPLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-30-19-8-3-2-7-18(19)27-21(30)14-5-4-6-17(11-14)31-13-16-10-9-15(12-26-16)22-28-29-23(32-22)20(24)25/h2-12,20H,13H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 433.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[3-(1-methylbenzimidazol-2-yl)phenoxy]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).