1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole

C18H21N5 — CID 154820358

IUPAC1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESCCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3
InChIKeyAIXXALCRZLSOPO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.00
Rot. Bonds4

About 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole

1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole (PubChem CID 154820358) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
PubChem CID154820358
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESCCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3
InChIKeyAIXXALCRZLSOPO-UHFFFAOYSA-N
XLogP3.00
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole (CID 154820358) is 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole is CCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The InChIKey is AIXXALCRZLSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole has a molecular weight of 307.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole is sourced from PubChem (CID 154820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).