1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole

C23H20N2O2 — CID 58076328

IUPAC1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole
SMILESc1ccc(C(c2ccccc2)N2CCN=C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)25-14-13-24-23(25)19-11-12-20-21(15-19)27-16-26-20/h1-12,15,22H,13-14,16H2
InChIKeyQPYVFVKTYUNLIB-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.27
Rot. Bonds4

About 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole

1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole (PubChem CID 58076328) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole
PubChem CID58076328
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole
SMILESc1ccc(C(c2ccccc2)N2CCN=C2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)25-14-13-24-23(25)19-11-12-20-21(15-19)27-16-26-20/h1-12,15,22H,13-14,16H2
InChIKeyQPYVFVKTYUNLIB-UHFFFAOYSA-N
XLogP4.27
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole (CID 58076328) is 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole is c1ccc(C(c2ccccc2)N2CCN=C2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole?
The InChIKey is QPYVFVKTYUNLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)25-14-13-24-23(25)19-11-12-20-21(15-19)27-16-26-20/h1-12,15,22H,13-14,16H2.
What are the key properties of 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole?
1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole has a molecular weight of 356.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-(1,3-benzodioxol-5-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 58076328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).