2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

C85H98N18S5 — CID 159036027

IUPAC2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)c1cn2ccccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/2C10H12N2.2C10H11NS.2C9H11N3.3C9H10N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyJVLVHJCFUMKHLR-UHFFFAOYSA-N
MW1532.18 g/mol
LogP24.36
Rot. Bonds9

About 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine

2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 159036027) has the molecular formula C85H98N18S5 and a molecular weight of 1532.18 g/mol. Its IUPAC name is 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID159036027
Molecular FormulaC85H98N18S5
Molecular Weight1532.18 g/mol
Exact Mass1530.68
IUPAC Name2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)c1cn2ccccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1
InChIInChI=1S/2C10H12N2.2C10H11NS.2C9H11N3.3C9H10N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3*3-6H,1-2H3
InChIKeyJVLVHJCFUMKHLR-UHFFFAOYSA-N
XLogP24.36
TPSA220.86 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.18
LogP ≤ 524.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine (CID 159036027) is 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is CC(C)c1cn2ccccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2ncccc2s1.
What is the InChIKey of 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is JVLVHJCFUMKHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.2C10H11NS.2C9H11N3.3C9H10N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8/h3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine?
2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1532.18 g/mol, XLogP of 24.36, 9 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-benzimidazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 159036027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).