1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole

C17H34N2 — CID 69390605

IUPAC1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCC)C1C(C)C
InChIInChI=1S/C17H34N2/c1-5-7-9-10-11-13-19-15-14-18(12-8-6-2)17(19)16(3)4/h14-17H,5-13H2,1-4H3
InChIKeyKLQFHYJMFBOFBL-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.83
Rot. Bonds10

About 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole

1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole (PubChem CID 69390605) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
PubChem CID69390605
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCN1C=CN(CCCC)C1C(C)C
InChIInChI=1S/C17H34N2/c1-5-7-9-10-11-13-19-15-14-18(12-8-6-2)17(19)16(3)4/h14-17H,5-13H2,1-4H3
InChIKeyKLQFHYJMFBOFBL-UHFFFAOYSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.83
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-dodecyl-3-octyl-2-propan-2-yl-2H-imidazole
CID 69391159
1-nonyl-3-pentyl-2-propan-2-yl-2H-imidazole
CID 69397364
1-dodecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69393125
1-heptadecyl-3-heptyl-2-propan-2-yl-2H-imidazole
CID 69387857
1-octyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392585
1-heptyl-2-propan-2-yl-3-undecyl-2H-imidazole
CID 69392910
2-propan-2-yl-1-propyl-3-tridecyl-2H-imidazole
CID 69395899
1-dodecyl-2-propan-2-yl-3-propyl-2H-imidazole
CID 69390848
1-ethyl-3-nonadecyl-2-propan-2-yl-2H-imidazole
CID 69394898
1-benzyl-2-propan-2-yl-3-tridecyl-2H-imidazole
CID 69389284
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The IUPAC name of 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole (CID 69390605) is 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole is CCCCCCCN1C=CN(CCCC)C1C(C)C.
What is the InChIKey of 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole?
The InChIKey is KLQFHYJMFBOFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-7-9-10-11-13-19-15-14-18(12-8-6-2)17(19)16(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole?
1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole has a molecular weight of 266.47 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-heptyl-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69390605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).