4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline

C97H133N11 — CID 160979785

IUPAC4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1cccc2c1NCC2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1cccc2c1NCCN2.CC(C)(C)c1cccc2nccnc12
InChIInChI=1S/2C13H19N.C12H18N2.C12H14N2.C12H17N.C12H15N.C12H17N.C11H14N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;2*1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4,7-8,14H,5-6,9H2,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;4-6,13-14H,7-8H2,1-3H3;4-8H,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-6,13H,7-8H2,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeySZIXZPFDSRRBIG-UHFFFAOYSA-N
MW1453.21 g/mol
LogP24.66
Rot. Bonds

About 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline

4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 160979785) has the molecular formula C97H133N11 and a molecular weight of 1453.21 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID160979785
Molecular FormulaC97H133N11
Molecular Weight1453.21 g/mol
Exact Mass1452.07
IUPAC Name4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1cccc2c1NCC2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1cccc2c1NCCN2.CC(C)(C)c1cccc2nccnc12
InChIInChI=1S/2C13H19N.C12H18N2.C12H14N2.C12H17N.C12H15N.C12H17N.C11H14N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;2*1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4,7-8,14H,5-6,9H2,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;4-6,13-14H,7-8H2,1-3H3;4-8H,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-6,13H,7-8H2,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeySZIXZPFDSRRBIG-UHFFFAOYSA-N
XLogP24.66
TPSA142.43 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.21
LogP ≤ 524.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline;methane
CID 159727563
CID 158816110
CID 158816110
2-(1H-benzimidazol-4-yl)propan-2-ol
CID 117277327
8,9-dihydro-7H-pyrrolo[2,3-f]quinoxaline
CID 59469621
2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
CID 84673552
3,6,7,8-tetrahydrocyclopenta[e]benzimidazole
CID 19688753
4-(1,1-difluoroethyl)-1H-indole
CID 145206515
2,3-dihydro-1H-indole;ethane;1H-indole;piperidine
CID 160955501
2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid
CID 117119054
8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 102969938
3,7,8,9-tetrahydroimidazo[4,5-f][1,4]benzoxazine
CID 89456310
3-(1H-benzimidazol-4-yl)-3-methylbutanoic acid
CID 117310850

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline (CID 160979785) is 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline is CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1cccc2c1NCC2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1cccc2c1NCCN2.CC(C)(C)c1cccc2nccnc12.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is SZIXZPFDSRRBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19N.C12H18N2.C12H14N2.C12H17N.C12H15N.C12H17N.C11H14N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;2*1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4,7-8,14H,5-6,9H2,1-3H3;4,6,8,14H,5,7,9H2,1-3H3;4-6,13-14H,7-8H2,1-3H3;4-8H,1-3H3;4-6,13H,7-8H2,1-3H3;4-8,13H,1-3H3;4-6,13H,7-8H2,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline?
4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 1453.21 g/mol, XLogP of 24.66, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;4-tert-butyl-2,3-dihydro-1H-indole;7-tert-butyl-2,3-dihydro-1H-indole;4-tert-butyl-1H-indole;5-tert-butylquinoxaline;5-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline;5-tert-butyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 160979785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).