3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole

C22H24N4O — CID 177247578

IUPAC3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccnc(CC(C)C)c3)c2c1
InChIInChI=1S/C22H24N4O/c1-14(2)9-19-10-17(7-8-23-19)12-26-13-24-20-6-5-18(11-21(20)26)22-15(3)25-27-16(22)4/h5-8,10-11,13-14H,9,12H2,1-4H3
InChIKeyNDIHYGQBKUOUBI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.95
Rot. Bonds5

About 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole (PubChem CID 177247578) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole
PubChem CID177247578
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccnc(CC(C)C)c3)c2c1
InChIInChI=1S/C22H24N4O/c1-14(2)9-19-10-17(7-8-23-19)12-26-13-24-20-6-5-18(11-21(20)26)22-15(3)25-27-16(22)4/h5-8,10-11,13-14H,9,12H2,1-4H3
InChIKeyNDIHYGQBKUOUBI-UHFFFAOYSA-N
XLogP4.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole (CID 177247578) is 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3ccnc(CC(C)C)c3)c2c1.
What is the InChIKey of 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is NDIHYGQBKUOUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14(2)9-19-10-17(7-8-23-19)12-26-13-24-20-6-5-18(11-21(20)26)22-15(3)25-27-16(22)4/h5-8,10-11,13-14H,9,12H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 360.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-[[2-(2-methylpropyl)-4-pyridinyl]methyl]benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 177247578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).