1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole

C151H177N27O3 — CID 159253670

IUPAC1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
SMILESCC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(-n2cnnn2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(C2=CCN=C2)c1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H17N.C15H16O.C13H14N6.2C13H16N2.2C13H15N.C12H15N3.C12H16N2O.C12H13NO.2C10H12N4/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)9-3-5-10(6-4-9)14-7-11-12-13-14;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;2*4-10H,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;4-9H,1-3H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14)
InChIKeyKVPSNRUTOMAMQD-UHFFFAOYSA-N
MW2418.26 g/mol
LogP35.78
Rot. Bonds22

About 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole

1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole (PubChem CID 159253670) has the molecular formula C151H177N27O3 and a molecular weight of 2418.26 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
PubChem CID159253670
Molecular FormulaC151H177N27O3
Molecular Weight2418.26 g/mol
Exact Mass2416.45
IUPAC Name1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole
SMILESCC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(-n2cnnn2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(C2=CCN=C2)c1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H17N.C15H16O.C13H14N6.2C13H16N2.2C13H15N.C12H15N3.C12H16N2O.C12H13NO.2C10H12N4/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)9-3-5-10(6-4-9)14-7-11-12-13-14;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;2*4-10H,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;4-9H,1-3H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14)
InChIKeyKVPSNRUTOMAMQD-UHFFFAOYSA-N
XLogP35.78
TPSA355.70 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.26
LogP ≤ 535.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The IUPAC name of 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole (CID 159253670) is 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole.
What is the SMILES notation for 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The canonical SMILES for 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole is CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)c1ccc(-c2cccc(O)c2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(-n2cnnn2)cc1.CC(C)c1ccc(-n2cnnn2)cc1-n1cccn1.CC(C)c1ccc(N2CCNC2=O)cc1.CC(C)c1ccc2cc(N)ccc2c1.CC(C)c1cccc(-c2cnco2)c1.CC(C)c1cccc(C2=CCN=C2)c1.Cc1cc(-c2ccc(C(C)C)cc2)ccn1.Cc1nccn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
The InChIKey is KVPSNRUTOMAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C15H16O.C13H14N6.2C13H16N2.2C13H15N.C12H15N3.C12H16N2O.C12H13NO.2C10H12N4/c1-11(2)13-4-6-14(7-5-13)15-8-9-16-12(3)10-15;1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14;1-10(2)12-5-4-11(19-9-14-16-17-19)8-13(12)18-7-3-6-15-18;1-10(2)12-4-6-13(7-5-12)15-9-8-14-11(15)3;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-9(2)10-3-5-11(6-4-10)14-8-7-13-12(14)15;1-9(2)10-4-3-5-11(6-10)12-7-13-8-14-12;1-8(2)9-3-5-10(6-4-9)14-7-11-12-13-14;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10/h4-11H,1-3H3;3-11,16H,1-2H3;3-10H,1-2H3;2*4-10H,1-3H3;3-9H,14H2,1-2H3;3-6,8-10H,7H2,1-2H3;4-9H,1-3H3;3-6,9H,7-8H2,1-2H3,(H,13,15);3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14).
What are the key properties of 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole?
1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole has a molecular weight of 2418.26 g/mol, XLogP of 35.78, 22 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)imidazole;1-(4-tert-butylphenyl)-1,2,4-triazole;2-methyl-1-(4-propan-2-ylphenyl)imidazole;2-methyl-4-(4-propan-2-ylphenyl)pyridine;6-propan-2-ylnaphthalen-2-amine;1-(4-propan-2-ylphenyl)imidazolidin-2-one;5-(3-propan-2-ylphenyl)-1,3-oxazole;3-(4-propan-2-ylphenyl)phenol;4-(3-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;1-(4-propan-2-yl-3-pyrazol-1-ylphenyl)tetrazole is sourced from PubChem (CID 159253670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).