bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole

C70H80N10O2S2 — CID 164963078

IUPACbis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1
InChIInChI=1S/3C10H12N2.2C10H11NO.2C10H11NS/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyCCMDMJSCEDPGNM-UHFFFAOYSA-N
MW1157.61 g/mol
LogP20.80
Rot. Bonds7

About bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole

bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole (PubChem CID 164963078) has the molecular formula C70H80N10O2S2 and a molecular weight of 1157.61 g/mol. Its IUPAC name is bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole.

Molecular Properties

Compound Namebis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
PubChem CID164963078
Molecular FormulaC70H80N10O2S2
Molecular Weight1157.61 g/mol
Exact Mass1156.59
IUPAC Namebis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1
InChIInChI=1S/3C10H12N2.2C10H11NO.2C10H11NS/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3
InChIKeyCCMDMJSCEDPGNM-UHFFFAOYSA-N
XLogP20.80
TPSA163.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.61
LogP ≤ 520.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165099029
7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol
CID 161358961
4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazol-4-ol;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
CID 165060201
6-propan-2-yl-1,3-benzoxazole
CID 21354846
ethane;5-propan-2-yl-1,3-benzothiazole
CID 144711218
5-tert-butyl-1H-indazole;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole)
CID 161259846
1H-indazole;[1,3]oxazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine
CID 157192368
CID 157410638
CID 157410638
5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
CID 134331916
(1R)-1-(1H-indazol-5-yl)-2-methylpropan-1-amine
CID 130948805
1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355

Frequently Asked Questions

What is the IUPAC name of bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The IUPAC name of bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole (CID 164963078) is bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole.
What is the SMILES notation for bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The canonical SMILES for bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2scnc2c1.
What is the InChIKey of bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
The InChIKey is CCMDMJSCEDPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H12N2.2C10H11NO.2C10H11NS/c1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3.
What are the key properties of bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole?
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole has a molecular weight of 1157.61 g/mol, XLogP of 20.80, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole is sourced from PubChem (CID 164963078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).