6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole

C96H132N10 — CID 160611726

IUPAC6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole
SMILESCC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21N.3C14H19N.3C13H18N2/c1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h6-11H,1-5H3;3*5-11H,1-4H3;3*5-10H,1-4H3
InChIKeyRFOPEPHYLUCHHS-UHFFFAOYSA-N
MW1426.18 g/mol
LogP28.78
Rot. Bonds13

About 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole

6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole (PubChem CID 160611726) has the molecular formula C96H132N10 and a molecular weight of 1426.18 g/mol. Its IUPAC name is 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole.

Molecular Properties

Compound Name6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole
PubChem CID160611726
Molecular FormulaC96H132N10
Molecular Weight1426.18 g/mol
Exact Mass1425.06
IUPAC Name6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole
SMILESCC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H21N.3C14H19N.3C13H18N2/c1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h6-11H,1-5H3;3*5-11H,1-4H3;3*5-10H,1-4H3
InChIKeyRFOPEPHYLUCHHS-UHFFFAOYSA-N
XLogP28.78
TPSA73.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001426.18
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-1-propan-2-ylindazole;6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,4-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indazole;1,4-di(propan-2-yl)indole;1,5-di(propan-2-yl)indole;methane;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline
CID 157450371
2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
CID 117336833
5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
CID 176701943
6-(difluoromethyl)-1-propan-2-ylindole
CID 90162024
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
1-(1-propan-2-ylindol-4-yl)ethanethiol
CID 135200256
1,6-di(propan-2-yl)naphthalene
CID 3016596
5-tert-butyl-2-methylbenzotriazole
CID 138667853
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
5-tert-butyl-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;2,5-di(propan-2-yl)-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 159136896
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole?
The IUPAC name of 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole (CID 160611726) is 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole.
What is the SMILES notation for 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole?
The canonical SMILES for 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole is CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2ncn(C(C)C)c2c1.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ccn2C(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)n1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole?
The InChIKey is RFOPEPHYLUCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.3C14H19N.3C13H18N2/c1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-10(2)12-6-5-7-14-13(12)8-9-15(14)11(3)4;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4;1-9(2)11-5-6-12-13(7-11)15(8-14-12)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4/h6-11H,1-5H3;3*5-11H,1-4H3;3*5-10H,1-4H3.
What are the key properties of 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole?
6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole has a molecular weight of 1426.18 g/mol, XLogP of 28.78, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propan-2-ylindole;1,4-di(propan-2-yl)benzimidazole;1,5-di(propan-2-yl)benzimidazole;1,6-di(propan-2-yl)benzimidazole;bis(1,4-di(propan-2-yl)indole);1,5-di(propan-2-yl)indole is sourced from PubChem (CID 160611726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).