2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole

C147H267N19 — CID 157455676

IUPAC2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
SMILESCC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C14H24N2.4C14H25N.5C13H24N2.C12H23N3/c1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h9-10H,7-8H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);7-8H2,1-6H3,(H,13,14,15)
InChIKeyBTIDLRLBXRRFAH-UHFFFAOYSA-N
MW2300.89 g/mol
LogP42.05
Rot. Bonds22

About 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole

2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole (PubChem CID 157455676) has the molecular formula C147H267N19 and a molecular weight of 2300.89 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
PubChem CID157455676
Molecular FormulaC147H267N19
Molecular Weight2300.89 g/mol
Exact Mass2299.15
IUPAC Name2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
SMILESCC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C14H24N2.4C14H25N.5C13H24N2.C12H23N3/c1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h9-10H,7-8H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);7-8H2,1-6H3,(H,13,14,15)
InChIKeyBTIDLRLBXRRFAH-UHFFFAOYSA-N
XLogP42.05
TPSA230.47 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002300.89
LogP ≤ 542.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The IUPAC name of 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole (CID 157455676) is 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole.
What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole is CC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The InChIKey is BTIDLRLBXRRFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.4C14H25N.5C13H24N2.C12H23N3/c1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h9-10H,7-8H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);7-8H2,1-6H3,(H,13,14,15).
What are the key properties of 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole has a molecular weight of 2300.89 g/mol, XLogP of 42.05, 22 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dimethylpropyl)pyrimidine;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole is sourced from PubChem (CID 157455676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).