1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine

C103H121N23O2S3 — CID 159048173

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/4C10H12N2.C10H11NO.C10H11NS.2C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6/h3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10)
InChIKeyJWXNUCRENOPUPC-UHFFFAOYSA-N
MW1809.46 g/mol
LogP27.83
Rot. Bonds11

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine

1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 159048173) has the molecular formula C103H121N23O2S3 and a molecular weight of 1809.46 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID159048173
Molecular FormulaC103H121N23O2S3
Molecular Weight1809.46 g/mol
Exact Mass1807.92
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1cnc2ccccc21
InChIInChI=1S/4C10H12N2.C10H11NO.C10H11NS.2C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6/h3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10)
InChIKeyJWXNUCRENOPUPC-UHFFFAOYSA-N
XLogP27.83
TPSA298.05 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms131
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.46
LogP ≤ 527.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine (CID 159048173) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2scnc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnn2ccccc12.CC(C)c1onc2ccccc12.CC(C)c1onc2cccnc12.CC(C)c1snc2ccccc12.CC(C)c1snc2cccnc12.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is JWXNUCRENOPUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H12N2.C10H11NO.C10H11NS.2C9H11N3.C9H10N2O.C9H10N2S.C7H9N3S/c1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;3*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;2*1-6(2)9-8-7(11-12-9)4-3-5-10-8;1-4(2)5-6-7(10-9-5)11-3-8-6/h3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3;3-4H,1-2H3,(H,9,10).
What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine?
1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 1809.46 g/mol, XLogP of 27.83, 11 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-2H-indazole;3-propan-2-yl-[1,2]oxazolo[4,3-b]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-d][1,3]thiazole;3-propan-2-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 159048173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).