1-propyl-2-(1-propylimidazol-2-yl)imidazole

C24H36N8 — CID 139196593

IUPAC1-propyl-2-(1-propylimidazol-2-yl)imidazole
SMILESCCCn1ccnc1-c1nccn1CCC.CCCn1ccnc1-c1nccn1CCC
InChIInChI=1S/2C12H18N4/c2*1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h2*5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKHHQNBKMUVPUIB-UHFFFAOYSA-N
MW436.61 g/mol
LogP5.13
Rot. Bonds10

About 1-propyl-2-(1-propylimidazol-2-yl)imidazole

1-propyl-2-(1-propylimidazol-2-yl)imidazole (PubChem CID 139196593) has the molecular formula C24H36N8 and a molecular weight of 436.61 g/mol. Its IUPAC name is 1-propyl-2-(1-propylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-propyl-2-(1-propylimidazol-2-yl)imidazole
PubChem CID139196593
Molecular FormulaC24H36N8
Molecular Weight436.61 g/mol
Exact Mass436.31
IUPAC Name1-propyl-2-(1-propylimidazol-2-yl)imidazole
SMILESCCCn1ccnc1-c1nccn1CCC.CCCn1ccnc1-c1nccn1CCC
InChIInChI=1S/2C12H18N4/c2*1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h2*5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKHHQNBKMUVPUIB-UHFFFAOYSA-N
XLogP5.13
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.61
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 23681131
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N,N-dimethyl-2-(1'-propyl-1H,1'H-2,2'-biimidazol-1-yl)ethanamine
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CID 12147481
1,1'-(2,2-Bis((1H-imidazol-1-yl)methyl)propane-1,3-diyl)bis(1H-imidazole)
CID 58721006
1-Butyl-2-[2-(1-butylimidazol-2-yl)ethyl]imidazole
CID 67973130
1-Butyl-2-(1-ethyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
CID 90831327
1,4-Bis(2-methyl-1H-imidazol-1-yl)butane
CID 90983349
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CID 102097166

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-(1-propylimidazol-2-yl)imidazole?
The IUPAC name of 1-propyl-2-(1-propylimidazol-2-yl)imidazole (CID 139196593) is 1-propyl-2-(1-propylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-propyl-2-(1-propylimidazol-2-yl)imidazole?
The canonical SMILES for 1-propyl-2-(1-propylimidazol-2-yl)imidazole is CCCn1ccnc1-c1nccn1CCC.CCCn1ccnc1-c1nccn1CCC.
What is the InChIKey of 1-propyl-2-(1-propylimidazol-2-yl)imidazole?
The InChIKey is KHHQNBKMUVPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N4/c2*1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h2*5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propyl-2-(1-propylimidazol-2-yl)imidazole?
1-propyl-2-(1-propylimidazol-2-yl)imidazole has a molecular weight of 436.61 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-(1-propylimidazol-2-yl)imidazole is sourced from PubChem (CID 139196593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).