1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole

C22H20N4O2 — CID 95192237

IUPAC1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole
SMILESCc1cnc(-c2c(-c3ccccc3)ncn2C[C@@H]2COc3ccccc3O2)[nH]1
InChIInChI=1S/C22H20N4O2/c1-15-11-23-22(25-15)21-20(16-7-3-2-4-8-16)24-14-26(21)12-17-13-27-18-9-5-6-10-19(18)28-17/h2-11,14,17H,12-13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyIYHLATKUSYZJIR-QGZVFWFLSA-N
MW372.43 g/mol
LogP4.09
Rot. Bonds4

About 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole

1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole (PubChem CID 95192237) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole
PubChem CID95192237
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole
SMILESCc1cnc(-c2c(-c3ccccc3)ncn2C[C@@H]2COc3ccccc3O2)[nH]1
InChIInChI=1S/C22H20N4O2/c1-15-11-23-22(25-15)21-20(16-7-3-2-4-8-16)24-14-26(21)12-17-13-27-18-9-5-6-10-19(18)28-17/h2-11,14,17H,12-13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyIYHLATKUSYZJIR-QGZVFWFLSA-N
XLogP4.09
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole?
The IUPAC name of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole (CID 95192237) is 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole is Cc1cnc(-c2c(-c3ccccc3)ncn2C[C@@H]2COc3ccccc3O2)[nH]1.
What is the InChIKey of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole?
The InChIKey is IYHLATKUSYZJIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-11-23-22(25-15)21-20(16-7-3-2-4-8-16)24-14-26(21)12-17-13-27-18-9-5-6-10-19(18)28-17/h2-11,14,17H,12-13H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole?
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole has a molecular weight of 372.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methyl-1H-imidazol-2-yl)-4-phenylimidazole is sourced from PubChem (CID 95192237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).