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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline

C117H128Cl5N15O2S2 — CID 157450097

IUPAC4-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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.Cc1cc(C(C)C)cc2cccnc12
InChIInChI=1S/C13H15N.C12H12ClN.C12H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.2C10H12N2.C10H11NO.C10H11NS/c1-9(2)12-7-10(3)13-11(8-12)5-4-6-14-13;1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyBSRVEKXUQVFQDF-UHFFFAOYSA-N
MW2017.81 g/mol
LogP37.14
Rot. Bonds11

About 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline

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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline (PubChem CID 157450097) has the molecular formula C117H128Cl5N15O2S2 and a molecular weight of 2017.81 g/mol. Its IUPAC name is 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline.

Molecular Properties

Compound Name4-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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
PubChem CID157450097
Molecular FormulaC117H128Cl5N15O2S2
Molecular Weight2017.81 g/mol
Exact Mass2013.83
IUPAC Name4-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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.Cc1cc(C(C)C)cc2cccnc12
InChIInChI=1S/C13H15N.C12H12ClN.C12H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.2C10H12N2.C10H11NO.C10H11NS/c1-9(2)12-7-10(3)13-11(8-12)5-4-6-14-13;1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyBSRVEKXUQVFQDF-UHFFFAOYSA-N
XLogP37.14
TPSA231.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.81
LogP ≤ 537.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline?
The IUPAC name of 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline (CID 157450097) is 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline.
What is the SMILES notation for 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline?
The canonical SMILES for 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline is CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.Cc1cc(C(C)C)cc2cccnc12.
What is the InChIKey of 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline?
The InChIKey is BSRVEKXUQVFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H12ClN.C12H13N.2C10H11ClN2.C10H10ClNO.C10H10ClNS.2C10H12N2.C10H11NO.C10H11NS/c1-9(2)12-7-10(3)13-11(8-12)5-4-6-14-13;1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-6(2)7-3-8(11)10-9(4-7)12-5-13-10;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;3*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-9H,1-3H3;3-8H,1-2H3;3-9H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3.
What are the key properties of 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline?
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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline has a molecular weight of 2017.81 g/mol, XLogP of 37.14, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline is sourced from PubChem (CID 157450097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).