1-(2-imidazol-1-ylhexan-2-yl)imidazole

C12H18N4 — CID 174761890

IUPAC1-(2-imidazol-1-ylhexan-2-yl)imidazole
SMILESCCCCC(C)(n1ccnc1)n1ccnc1
InChIInChI=1S/C12H18N4/c1-3-4-5-12(2,15-8-6-13-10-15)16-9-7-14-11-16/h6-11H,3-5H2,1-2H3
InChIKeyPVMKKPKKACFEHL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-imidazol-1-ylhexan-2-yl)imidazole

1-(2-imidazol-1-ylhexan-2-yl)imidazole (PubChem CID 174761890) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylhexan-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylhexan-2-yl)imidazole
PubChem CID174761890
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(2-imidazol-1-ylhexan-2-yl)imidazole
SMILESCCCCC(C)(n1ccnc1)n1ccnc1
InChIInChI=1S/C12H18N4/c1-3-4-5-12(2,15-8-6-13-10-15)16-9-7-14-11-16/h6-11H,3-5H2,1-2H3
InChIKeyPVMKKPKKACFEHL-UHFFFAOYSA-N
XLogP2.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-ethyloctan-4-yl)imidazole
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2-imidazol-1-yltridecan-2-ol
CID 87316839
(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
CID 175520912
2-imidazol-1-yl-2-octyldecanamide
CID 175292501
1-(4-butyl-3-methyldocosan-3-yl)imidazole
CID 69391247
2-imidazol-1-ylpropan-2-ol
CID 57110355
1-imidazol-1-ylpropane-1,1-diamine
CID 67171821
1-bromoimidazole;hexane
CID 175190317
1-(tribromomethyl)imidazole
CID 174422009
(2-imidazol-1-yl-2-methylpropyl) hypoiodite
CID 170391242
hexadecane;1-iodoimidazole
CID 174619636

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylhexan-2-yl)imidazole?
The IUPAC name of 1-(2-imidazol-1-ylhexan-2-yl)imidazole (CID 174761890) is 1-(2-imidazol-1-ylhexan-2-yl)imidazole.
What is the SMILES notation for 1-(2-imidazol-1-ylhexan-2-yl)imidazole?
The canonical SMILES for 1-(2-imidazol-1-ylhexan-2-yl)imidazole is CCCCC(C)(n1ccnc1)n1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylhexan-2-yl)imidazole?
The InChIKey is PVMKKPKKACFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-4-5-12(2,15-8-6-13-10-15)16-9-7-14-11-16/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-(2-imidazol-1-ylhexan-2-yl)imidazole?
1-(2-imidazol-1-ylhexan-2-yl)imidazole has a molecular weight of 218.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylhexan-2-yl)imidazole is sourced from PubChem (CID 174761890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).