(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C20H22N2O2 — CID 142680722

IUPAC(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2NC(COC3CCOC3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(21-19)14-24-17-11-12-23-13-17/h1-10,17,19-20H,11-14H2,(H,21,22)/t17?,19-,20+
InChIKeyNUZGACJVCHZKCK-CTXDPNEZSA-N
MW322.41 g/mol
LogP3.28
Rot. Bonds5

About (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 142680722) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID142680722
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2NC(COC3CCOC3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(21-19)14-24-17-11-12-23-13-17/h1-10,17,19-20H,11-14H2,(H,21,22)/t17?,19-,20+
InChIKeyNUZGACJVCHZKCK-CTXDPNEZSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 142680722) is (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is c1ccc([C@H]2NC(COC3CCOC3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is NUZGACJVCHZKCK-CTXDPNEZSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-7-15(8-4-1)19-20(16-9-5-2-6-10-16)22-18(21-19)14-24-17-11-12-23-13-17/h1-10,17,19-20H,11-14H2,(H,21,22)/t17?,19-,20+.
What are the key properties of (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 322.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(oxolan-3-yloxymethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 142680722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).