2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C22H17N5O — CID 122180102

IUPAC2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1cc2nc(-c3ccc(-c4nnc(-c5ccncc5)o4)cc3)[nH]c2cc1C
InChIInChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-3-5-16(6-4-15)21-26-27-22(28-21)17-7-9-23-10-8-17/h3-12H,1-2H3,(H,24,25)
InChIKeySMCLPQQVVAWXMX-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.96
Rot. Bonds3

About 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 122180102) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID122180102
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1cc2nc(-c3ccc(-c4nnc(-c5ccncc5)o4)cc3)[nH]c2cc1C
InChIInChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-3-5-16(6-4-15)21-26-27-22(28-21)17-7-9-23-10-8-17/h3-12H,1-2H3,(H,24,25)
InChIKeySMCLPQQVVAWXMX-UHFFFAOYSA-N
XLogP4.96
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 122180102) is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1cc2nc(-c3ccc(-c4nnc(-c5ccncc5)o4)cc3)[nH]c2cc1C.
What is the InChIKey of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is SMCLPQQVVAWXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-13-11-18-19(12-14(13)2)25-20(24-18)15-3-5-16(6-4-15)21-26-27-22(28-21)17-7-9-23-10-8-17/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 367.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 122180102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).