1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole

C20H20N4O — CID 56753341

IUPAC1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole
SMILESCOc1ccc(-c2nccn2CCCn2ccnc2)c2ccccc12
InChIInChI=1S/C20H20N4O/c1-25-19-8-7-18(16-5-2-3-6-17(16)19)20-22-10-14-24(20)12-4-11-23-13-9-21-15-23/h2-3,5-10,13-15H,4,11-12H2,1H3
InChIKeyJKWVLMPLFMZKTH-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole

1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole (PubChem CID 56753341) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole
PubChem CID56753341
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole
SMILESCOc1ccc(-c2nccn2CCCn2ccnc2)c2ccccc12
InChIInChI=1S/C20H20N4O/c1-25-19-8-7-18(16-5-2-3-6-17(16)19)20-22-10-14-24(20)12-4-11-23-13-9-21-15-23/h2-3,5-10,13-15H,4,11-12H2,1H3
InChIKeyJKWVLMPLFMZKTH-UHFFFAOYSA-N
XLogP4.00
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole (CID 56753341) is 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole is COc1ccc(-c2nccn2CCCn2ccnc2)c2ccccc12.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole?
The InChIKey is JKWVLMPLFMZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-19-8-7-18(16-5-2-3-6-17(16)19)20-22-10-14-24(20)12-4-11-23-13-9-21-15-23/h2-3,5-10,13-15H,4,11-12H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole?
1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole has a molecular weight of 332.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-(4-methoxynaphthalen-1-yl)imidazole is sourced from PubChem (CID 56753341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).