4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C22H24N4O — CID 144744363

IUPAC4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)c1nc2c(-c3cnccc3C)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C22H24N4O/c1-6-12(2)22-24-19-10-16(20-14(4)26-27-15(20)5)9-17(21(19)25-22)18-11-23-8-7-13(18)3/h7-12H,6H2,1-5H3,(H,24,25)
InChIKeyNGTXSXZTRJCNNP-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.72
Rot. Bonds4

About 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 144744363) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID144744363
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCC(C)c1nc2c(-c3cnccc3C)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C22H24N4O/c1-6-12(2)22-24-19-10-16(20-14(4)26-27-15(20)5)9-17(21(19)25-22)18-11-23-8-7-13(18)3/h7-12H,6H2,1-5H3,(H,24,25)
InChIKeyNGTXSXZTRJCNNP-UHFFFAOYSA-N
XLogP5.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121434478
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121442754
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-yl]-fluoromethanamine
CID 118941261
3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(oxan-4-ylamino)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121293059
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
CID 159367437
CID 159367437

Frequently Asked Questions

What is the IUPAC name of 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 144744363) is 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCC(C)c1nc2c(-c3cnccc3C)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NGTXSXZTRJCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-6-12(2)22-24-19-10-16(20-14(4)26-27-15(20)5)9-17(21(19)25-22)18-11-23-8-7-13(18)3/h7-12H,6H2,1-5H3,(H,24,25).
What are the key properties of 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 360.46 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 144744363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).