5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole

C16H30N2 — CID 152581875

IUPAC5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1ncc(C(C)C(C)C)[nH]1
InChIInChI=1S/C16H30N2/c1-7-8-9-10-16(5,6)15-17-11-14(18-15)13(4)12(2)3/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyYTQNPGHKYQLKQW-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.03
Rot. Bonds7

About 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole

5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole (PubChem CID 152581875) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
PubChem CID152581875
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1ncc(C(C)C(C)C)[nH]1
InChIInChI=1S/C16H30N2/c1-7-8-9-10-16(5,6)15-17-11-14(18-15)13(4)12(2)3/h11-13H,7-10H2,1-6H3,(H,17,18)
InChIKeyYTQNPGHKYQLKQW-UHFFFAOYSA-N
XLogP5.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
CID 68753870
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
2-(5-propan-2-yl-1H-imidazol-2-yl)pentan-2-amine
CID 82237987
5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
CID 150315714
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
CID 167202889
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
2-(2-methylhexan-2-yl)-1H-imidazole
CID 68747349
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The IUPAC name of 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole (CID 152581875) is 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The canonical SMILES for 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole is CCCCCC(C)(C)c1ncc(C(C)C(C)C)[nH]1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The InChIKey is YTQNPGHKYQLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-7-8-9-10-16(5,6)15-17-11-14(18-15)13(4)12(2)3/h11-13H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole has a molecular weight of 250.43 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole is sourced from PubChem (CID 152581875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).