4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

C130H148Cl3N19O2 — CID 162129330

IUPAC4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ocnc2c1.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C12H12ClN.C12H13NO.C12H13N.2C11H14N2.C11H12N2.C11H13N.2C10H11ClN2.2C10H12N2.C10H11NO/c1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;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/h3-8H,1-2H3;3-8H,1-2H3,(H,13,14);3-9H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyZILNQSNOERTKED-UHFFFAOYSA-N
MW2115.10 g/mol
LogP37.06
Rot. Bonds12

About 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (PubChem CID 162129330) has the molecular formula C130H148Cl3N19O2 and a molecular weight of 2115.10 g/mol. Its IUPAC name is 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Name4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
PubChem CID162129330
Molecular FormulaC130H148Cl3N19O2
Molecular Weight2115.10 g/mol
Exact Mass2112.11
IUPAC Name4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ocnc2c1.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C12H12ClN.C12H13NO.C12H13N.2C11H14N2.C11H12N2.C11H13N.2C10H11ClN2.2C10H12N2.C10H11NO/c1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;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/h3-8H,1-2H3;3-8H,1-2H3,(H,13,14);3-9H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyZILNQSNOERTKED-UHFFFAOYSA-N
XLogP37.06
TPSA298.32 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.10
LogP ≤ 537.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The IUPAC name of 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (CID 162129330) is 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.
What is the SMILES notation for 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The canonical SMILES for 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2nc[nH]c2c1.CC(C)c1cc(Cl)c2ncccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ocnc2c1.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The InChIKey is ZILNQSNOERTKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN.C12H13NO.C12H13N.2C11H14N2.C11H12N2.C11H13N.2C10H11ClN2.2C10H12N2.C10H11NO/c1-8(2)10-6-9-4-3-5-14-12(9)11(13)7-10;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;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;1-7(2)8-3-4-10-9(5-8)6-11-12-10;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/h3-8H,1-2H3;3-8H,1-2H3,(H,13,14);3-9H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;2*3-6H,1-2H3,(H,12,13);2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3.
What are the key properties of 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline has a molecular weight of 2115.10 g/mol, XLogP of 37.06, 12 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-yl-1H-benzimidazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;2-methyl-6-propan-2-yl-1H-benzimidazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is sourced from PubChem (CID 162129330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).