2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C37H26N6O — CID 143793765

IUPAC2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESC1=CCCC(n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)=C1
InChIInChI=1S/C37H26N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-2,4-13,15-24H,3,14H2
InChIKeyAZNRRPAHROZXMR-UHFFFAOYSA-N
MW570.66 g/mol
LogP8.74
Rot. Bonds6

About 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 143793765) has the molecular formula C37H26N6O and a molecular weight of 570.66 g/mol. Its IUPAC name is 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID143793765
Molecular FormulaC37H26N6O
Molecular Weight570.66 g/mol
Exact Mass570.22
IUPAC Name2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESC1=CCCC(n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)=C1
InChIInChI=1S/C37H26N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-2,4-13,15-24H,3,14H2
InChIKeyAZNRRPAHROZXMR-UHFFFAOYSA-N
XLogP8.74
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

3-(cyclopropylmethyl)-7-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]imidazo[4,5-b]pyridin-5-amine
CID 118288357
Topoisomerase I inhibitor 6
CID 153370123
2-Methyl-1-[4-(5-phenyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-imidazo[4,5-c]pyridine
CID 10405802
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 118723483
2-[4-(3-Cyclopentylimidazo[4,5-b]pyridin-2-yl)phenyl]-1,3,4-oxadiazole
CID 118723494
5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 162655321
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-4-(2,3,5-trimethylimidazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164610821
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[4-(2-methyl-3-pyridinyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164613928
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[2-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 164618790
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162722108
3-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]benzamide
CID 162722912
5-[5-(2,5-Difluorophenyl)-1,3,4-oxadiazol-2-YL]-2-(1H-imidazol-1-YL)pyridine
CID 53183276

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 143793765) is 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is C1=CCCC(n2c(-c3cc(-c4cccnc4)cc(-c4cccc(-c5nnc(-c6cccnc6)o5)c4)c3)nc3ccccc32)=C1.
What is the InChIKey of 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is AZNRRPAHROZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N6O/c1-2-13-32(14-3-1)43-34-16-5-4-15-33(34)40-35(43)31-21-29(20-30(22-31)27-11-7-17-38-23-27)25-9-6-10-26(19-25)36-41-42-37(44-36)28-12-8-18-39-24-28/h1-2,4-13,15-24H,3,14H2.
What are the key properties of 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 570.66 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 143793765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).