5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline

C172H256N12O3 — CID 159183127

IUPAC5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)N2.CC(C)(C)c1ccc2c(c1)CCCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C(C)(C)C.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1CCNc2cc(C(C)(C)C)ccc21.CC(C)N1CCc2cc(C(C)(C)C)ccc21.CC(C)n1ccc2cc(C(C)(C)C)ccc21.CC(C)n1cnc2cc(C(C)(C)C)ccc21.CC(C)n1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C18H28.2C17H27N.C16H25N.C16H22O.C15H22N2O.C15H21NO.C15H23N.C15H21N.2C14H20N2/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)14-9-10-15-13(12-14)8-7-11-18(15)17(4,5)6;1-11(2)13-8-9-17-15-10-12(16(3,4)5)6-7-14(13)15;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-14(2,3)10-7-8-12-11(9-10)16-13(18)17(12)15(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-11(2)16-9-8-12-10-13(15(3,4)5)6-7-14(12)16;1-10(2)16-13-7-6-12(14(3,4)5)8-11(13)9-15-16;1-10(2)16-9-15-12-8-11(14(3,4)5)6-7-13(12)16/h7,9,11,16H,8,10,12H2,1-6H3;8-9,11,15,18H,7,10H2,1-6H3;9-10,12H,7-8,11H2,1-6H3;6-7,10-11,13,17H,8-9H2,1-5H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,18);7-9H,1-6H3;6-7,10-11H,8-9H2,1-5H3;6-11H,1-5H3;2*6-10H,1-5H3
InChIKeyKNDNIBZNCIBDMU-UHFFFAOYSA-N
MW2540.02 g/mol
LogP47.90
Rot. Bonds5

About 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline

5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159183127) has the molecular formula C172H256N12O3 and a molecular weight of 2540.02 g/mol. Its IUPAC name is 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID159183127
Molecular FormulaC172H256N12O3
Molecular Weight2540.02 g/mol
Exact Mass2538.02
IUPAC Name5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)N2.CC(C)(C)c1ccc2c(c1)CCCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C(C)(C)C.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1CCNc2cc(C(C)(C)C)ccc21.CC(C)N1CCc2cc(C(C)(C)C)ccc21.CC(C)n1ccc2cc(C(C)(C)C)ccc21.CC(C)n1cnc2cc(C(C)(C)C)ccc21.CC(C)n1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C18H28.2C17H27N.C16H25N.C16H22O.C15H22N2O.C15H21NO.C15H23N.C15H21N.2C14H20N2/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)14-9-10-15-13(12-14)8-7-11-18(15)17(4,5)6;1-11(2)13-8-9-17-15-10-12(16(3,4)5)6-7-14(13)15;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-14(2,3)10-7-8-12-11(9-10)16-13(18)17(12)15(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-11(2)16-9-8-12-10-13(15(3,4)5)6-7-14(12)16;1-10(2)16-13-7-6-12(14(3,4)5)8-11(13)9-15-16;1-10(2)16-9-15-12-8-11(14(3,4)5)6-7-13(12)16/h7,9,11,16H,8,10,12H2,1-6H3;8-9,11,15,18H,7,10H2,1-6H3;9-10,12H,7-8,11H2,1-6H3;6-7,10-11,13,17H,8-9H2,1-5H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,18);7-9H,1-6H3;6-7,10-11H,8-9H2,1-5H3;6-11H,1-5H3;2*6-10H,1-5H3
InChIKeyKNDNIBZNCIBDMU-UHFFFAOYSA-N
XLogP47.90
TPSA148.07 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002540.02
LogP ≤ 547.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline (CID 159183127) is 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)C2.CC(C)(C)c1ccc2c(c1)CCC(C(C)(C)C)N2.CC(C)(C)c1ccc2c(c1)CCCN2C(C)(C)C.CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2C(C)(C)C.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)cc2c1.CC(C)C1CCNc2cc(C(C)(C)C)ccc21.CC(C)N1CCc2cc(C(C)(C)C)ccc21.CC(C)n1ccc2cc(C(C)(C)C)ccc21.CC(C)n1cnc2cc(C(C)(C)C)ccc21.CC(C)n1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is KNDNIBZNCIBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28.2C17H27N.C16H25N.C16H22O.C15H22N2O.C15H21NO.C15H23N.C15H21N.2C14H20N2/c1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-16(2,3)13-8-9-14-12(11-13)7-10-15(18-14)17(4,5)6;1-16(2,3)14-9-10-15-13(12-14)8-7-11-18(15)17(4,5)6;1-11(2)13-8-9-17-15-10-12(16(3,4)5)6-7-14(13)15;1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-14(2,3)10-7-8-12-11(9-10)16-13(18)17(12)15(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-11(2)16-9-8-12-10-13(15(3,4)5)6-7-14(12)16;1-10(2)16-13-7-6-12(14(3,4)5)8-11(13)9-15-16;1-10(2)16-9-15-12-8-11(14(3,4)5)6-7-13(12)16/h7,9,11,16H,8,10,12H2,1-6H3;8-9,11,15,18H,7,10H2,1-6H3;9-10,12H,7-8,11H2,1-6H3;6-7,10-11,13,17H,8-9H2,1-5H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,18);7-9H,1-6H3;6-7,10-11H,8-9H2,1-5H3;6-11H,1-5H3;2*6-10H,1-5H3.
What are the key properties of 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline?
5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2540.02 g/mol, XLogP of 47.90, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propan-2-ylbenzimidazole;5-tert-butyl-1-propan-2-yl-2,3-dihydroindole;5-tert-butyl-1-propan-2-ylindazole;5-tert-butyl-1-propan-2-ylindole;7-tert-butyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;3,6-ditert-butyl-1H-benzimidazol-2-one;2,5-ditert-butyl-1-benzofuran;2,6-ditert-butyl-1,3-benzoxazole;1,6-ditert-butyl-3,4-dihydro-2H-quinoline;2,6-ditert-butyl-1,2,3,4-tetrahydronaphthalene;2,6-ditert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159183127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).