1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine — IUPAC name, SMILES, InChIKey & properties

Name: 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine

1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine (PubChem CID 165105518) has the molecular formula C132H208BrN11O4 and a molecular weight of 2093.09 g/mol. Its IUPAC name is 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name	1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine
PubChem CID	165105518
Molecular Formula	C132H208BrN11O4
Molecular Weight	2093.09 g/mol
Exact Mass	2090.56
IUPAC Name	1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine
SMILES	CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1N1CCCC1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1
InChI	InChI=1S/C16H27NO.C15H22O.2C15H24O.C13H19N.C13H17N.C9H11Br.4C9H16N2/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;21-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;27-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;3-7H,1-2H3;25-8H,1-4H3;25-7H,1-4H3,(H,10,11)
InChIKey	ZBCDHPHKBLCYQN-UHFFFAOYSA-N
XLogP	38.66
TPSA	168.03 Å²
H-Bond Donors	2
H-Bond Acceptors	13
Rotatable Bonds	33
Heavy Atoms	148
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.09
LogP ≤ 5	38.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Analyze 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine?

The IUPAC name of 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine (CID 165105518) is 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine.

What is the SMILES notation for 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine?

The canonical SMILES for 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine is CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)c1ccc(OCCN(C)C)cc1C(C)C.CC(C)c1cccc(C#N)c1C(C)C.CC(C)c1ccccc1Br.CC(C)c1ccccc1N1CCCC1.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnn(C(C)C)c1.CC(C)c1nc[nH]c1C(C)C.CCCOc1ccc(C(C)C)c(C(C)C)c1.CCCOc1ccc(C(C)C)c(C(C)C)c1.

What is the InChIKey of 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine?

The InChIKey is ZBCDHPHKBLCYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H22O.2C15H24O.C13H19N.C13H17N.C9H11Br.4C9H16N2/c1-12(2)15-8-7-14(11-16(15)13(3)4)18-10-9-17(5)6;1-10(2)14-7-6-13(8-12(5)16)9-15(14)11(3)4;2*1-6-9-16-13-7-8-14(11(2)3)15(10-13)12(4)5;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)12-7-5-6-11(8-14)13(12)10(3)4;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9(7(3)4)11-5-10-8;1-6(2)8-5-10-11-9(8)7(3)4/h7-8,11-13H,9-10H2,1-6H3;6-7,9-11H,8H2,1-5H3;2*7-8,10-12H,6,9H2,1-5H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;5-7,9-10H,1-4H3;3-7H,1-2H3;2*5-8H,1-4H3;2*5-7H,1-4H3,(H,10,11).

What are the key properties of 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine?

Where does this data come from?

All data for 1-bromo-2-propan-2-ylbenzene;2,3-di(propan-2-yl)benzonitrile;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;2-[3,4-di(propan-2-yl)phenoxy]-N,N-dimethylethanamine;1-[3,4-di(propan-2-yl)phenyl]propan-2-one;bis(1,2-di(propan-2-yl)-4-propoxybenzene);1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;1-(2-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 165105518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).