5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole

C66H77Cl5N10O — CID 159472122

About 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole

5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole (PubChem CID 159472122) has the molecular formula C66H77Cl5N10O and a molecular weight of 1203.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole.

Molecular Properties

• Compound Name: 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole
• PubChem CID: 159472122
• Molecular Formula: C66H77Cl5N10O
• Molecular Weight: 1203.68 g/mol
• Exact Mass: 1200.47
• IUPAC Name: 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole
• SMILES: CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(CCO)c12.CC(C)c1ccc2c(ccn2C)c1
• InChI: InChI=1S/C12H15ClN2O.C12H15N.C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-8(2)11-6-10(13)5-9-7-14-15(3-4-16)12(9)11;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h5-8,16H,3-4H2,1-2H3;4-9H,1-3H3;4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13)
• InChIKey: LVXZQSUNXPCGKS-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 133.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.68
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole?

The IUPAC name of 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole (CID 159472122) is 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole.

What is the SMILES notation for 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole?

The canonical SMILES for 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole is CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(CCO)c12.CC(C)c1ccc2c(ccn2C)c1.

What is the InChIKey of 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole?

The InChIKey is LVXZQSUNXPCGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.C12H15N.C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-8(2)11-6-10(13)5-9-7-14-15(3-4-16)12(9)11;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h5-8,16H,3-4H2,1-2H3;4-9H,1-3H3;4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13).

What are the key properties of 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole?

5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole has a molecular weight of 1203.68 g/mol, XLogP of 20.08, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-methyl-7-propan-2-ylindazole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-methyl-5-propan-2-ylindole is sourced from PubChem (CID 159472122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).