2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole

C23H22N6O — CID 154640028

IUPAC2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(Cn5ccnc5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H22N6O/c1-14(2)21-18-11-17(23-28-27-20(30-23)12-29-9-8-24-13-29)4-5-19(18)26-22(21)16-6-7-25-15(3)10-16/h4-11,13-14,26H,12H2,1-3H3
InChIKeyUIQLUWVMIMGAQH-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.96
Rot. Bonds5

About 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole

2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 154640028) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
PubChem CID154640028
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(Cn5ccnc5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H22N6O/c1-14(2)21-18-11-17(23-28-27-20(30-23)12-29-9-8-24-13-29)4-5-19(18)26-22(21)16-6-7-25-15(3)10-16/h4-11,13-14,26H,12H2,1-3H3
InChIKeyUIQLUWVMIMGAQH-UHFFFAOYSA-N
XLogP4.96
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (CID 154640028) is 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(Cn5ccnc5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The InChIKey is UIQLUWVMIMGAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-14(2)21-18-11-17(23-28-27-20(30-23)12-29-9-8-24-13-29)4-5-19(18)26-22(21)16-6-7-25-15(3)10-16/h4-11,13-14,26H,12H2,1-3H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 398.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154640028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).