1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole

C20H24N4 — CID 90224466

IUPAC1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole
SMILESCN1C=CN(Cc2ccc3cc(CN4C=CN(C)C4)ccc3c2)C1
InChIInChI=1S/C20H24N4/c1-21-7-9-23(15-21)13-17-3-5-20-12-18(4-6-19(20)11-17)14-24-10-8-22(2)16-24/h3-12H,13-16H2,1-2H3
InChIKeyFPFRRTNNZCSCBE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.19
Rot. Bonds4

About 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole

1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole (PubChem CID 90224466) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole
PubChem CID90224466
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole
SMILESCN1C=CN(Cc2ccc3cc(CN4C=CN(C)C4)ccc3c2)C1
InChIInChI=1S/C20H24N4/c1-21-7-9-23(15-21)13-17-3-5-20-12-18(4-6-19(20)11-17)14-24-10-8-22(2)16-24/h3-12H,13-16H2,1-2H3
InChIKeyFPFRRTNNZCSCBE-UHFFFAOYSA-N
XLogP3.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole (CID 90224466) is 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole is CN1C=CN(Cc2ccc3cc(CN4C=CN(C)C4)ccc3c2)C1.
What is the InChIKey of 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole?
The InChIKey is FPFRRTNNZCSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-21-7-9-23(15-21)13-17-3-5-20-12-18(4-6-19(20)11-17)14-24-10-8-22(2)16-24/h3-12H,13-16H2,1-2H3.
What are the key properties of 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole?
1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole has a molecular weight of 320.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[6-[(3-methyl-2H-imidazol-1-yl)methyl]naphthalen-2-yl]methyl]-2H-imidazole is sourced from PubChem (CID 90224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).