1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole

C15H28N2 — CID 174630558

IUPAC1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
SMILESCCCCCC(C)(C)c1cn(C(C)CC)cn1
InChIInChI=1S/C15H28N2/c1-6-8-9-10-15(4,5)14-11-17(12-16-14)13(3)7-2/h11-13H,6-10H2,1-5H3
InChIKeyBVYXQPQDXMIYLB-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.71
Rot. Bonds7

About 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole

1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole (PubChem CID 174630558) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
PubChem CID174630558
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
SMILESCCCCCC(C)(C)c1cn(C(C)CC)cn1
InChIInChI=1S/C15H28N2/c1-6-8-9-10-15(4,5)14-11-17(12-16-14)13(3)7-2/h11-13H,6-10H2,1-5H3
InChIKeyBVYXQPQDXMIYLB-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-(2-methylpentan-2-yl)imidazole
CID 174706124
1-methyl-4-(2-methylhexan-2-yl)imidazole
CID 129152164
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
5-[(2S)-butan-2-yl]-1,3,5-triazine-2-thione
CID 54463947
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
CID 174767286
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
CID 166520574
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole?
The IUPAC name of 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole (CID 174630558) is 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole.
What is the SMILES notation for 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole?
The canonical SMILES for 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole is CCCCCC(C)(C)c1cn(C(C)CC)cn1.
What is the InChIKey of 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole?
The InChIKey is BVYXQPQDXMIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-8-9-10-15(4,5)14-11-17(12-16-14)13(3)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole?
1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole is sourced from PubChem (CID 174630558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).