2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole

C21H13ClF2N5O+ — CID 90695641

IUPAC2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nc3cc[n+](Cc4nnc(-c5ccc(Cl)cc5)o4)cc3[nH]2)c1F
InChIInChI=1S/C21H12ClF2N5O/c22-13-6-4-12(5-7-13)21-28-27-18(30-21)11-29-9-8-16-17(10-29)26-20(25-16)14-2-1-3-15(23)19(14)24/h1-10H,11H2/p+1
InChIKeyWJANCEVSBKSUFP-UHFFFAOYSA-O
MW424.82 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 90695641) has the molecular formula C21H13ClF2N5O+ and a molecular weight of 424.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID90695641
Molecular FormulaC21H13ClF2N5O+
Molecular Weight424.82 g/mol
Exact Mass424.08
IUPAC Name2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nc3cc[n+](Cc4nnc(-c5ccc(Cl)cc5)o4)cc3[nH]2)c1F
InChIInChI=1S/C21H12ClF2N5O/c22-13-6-4-12(5-7-13)21-28-27-18(30-21)11-29-9-8-16-17(10-29)26-20(25-16)14-2-1-3-15(23)19(14)24/h1-10H,11H2/p+1
InChIKeyWJANCEVSBKSUFP-UHFFFAOYSA-O
XLogP4.55
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3-benzoxazole
CID 91005759
3-(4-chloro-3-fluorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,2-oxazole
CID 90843169
2-(2,3-difluorophenyl)-5-[(2-fluoro-4-phenylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 90838191
3-(4-chloro-2-fluorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,2-oxazole
CID 91432388
3-[4-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]phenyl]benzonitrile
CID 91614976
3-(4-chlorophenyl)-5-[[2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,2-oxazole
CID 91071568
2-(2,3-difluorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 90960675
2-(2,3-difluorophenyl)-5-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]-3H-imidazo[4,5-c]pyridin-5-ium
CID 91049488
5-[[2-(4-chlorophenyl)-1H-imidazol-5-yl]methyl]-2-(2,3-difluorophenyl)-3H-imidazo[4,5-d]pyridazin-5-ium
CID 91003059
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
5-(4-chlorophenyl)-3-[[2-(2-fluorophenyl)-3H-imidazo[4,5-d]pyridazin-5-ium-5-yl]methyl]-1,2-oxazole
CID 90986850

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole (CID 90695641) is 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole is Fc1cccc(-c2nc3cc[n+](Cc4nnc(-c5ccc(Cl)cc5)o4)cc3[nH]2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is WJANCEVSBKSUFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H12ClF2N5O/c22-13-6-4-12(5-7-13)21-28-27-18(30-21)11-29-9-8-16-17(10-29)26-20(25-16)14-2-1-3-15(23)19(14)24/h1-10H,11H2/p+1.
What are the key properties of 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 424.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 90695641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).