5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline

C17H15N5 — CID 56759712

IUPAC5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
SMILESc1cc(-c2nccn2CCn2ccnc2)c2cccnc2c1
InChIInChI=1S/C17H15N5/c1-3-15(14-4-2-6-19-16(14)5-1)17-20-8-10-22(17)12-11-21-9-7-18-13-21/h1-10,13H,11-12H2
InChIKeyXQLROAKVFWXRDQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.99
Rot. Bonds4

About 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline

5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline (PubChem CID 56759712) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline.

Molecular Properties

Compound Name5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
PubChem CID56759712
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
SMILESc1cc(-c2nccn2CCn2ccnc2)c2cccnc2c1
InChIInChI=1S/C17H15N5/c1-3-15(14-4-2-6-19-16(14)5-1)17-20-8-10-22(17)12-11-21-9-7-18-13-21/h1-10,13H,11-12H2
InChIKeyXQLROAKVFWXRDQ-UHFFFAOYSA-N
XLogP2.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
CID 70786983
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
1-propylimidazole;quinoline
CID 174946070
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
CID 56861407
N-[[1-(2-imidazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412807
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
CID 56760532
4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]quinoline
CID 50981223
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline?
The IUPAC name of 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline (CID 56759712) is 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline.
What is the SMILES notation for 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline?
The canonical SMILES for 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline is c1cc(-c2nccn2CCn2ccnc2)c2cccnc2c1.
What is the InChIKey of 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline?
The InChIKey is XQLROAKVFWXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-3-15(14-4-2-6-19-16(14)5-1)17-20-8-10-22(17)12-11-21-9-7-18-13-21/h1-10,13H,11-12H2.
What are the key properties of 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline?
5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline has a molecular weight of 289.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline is sourced from PubChem (CID 56759712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).