1,3-bis(1-phenylethyl)-2H-imidazole

C19H22N2 — CID 15444165

IUPAC1,3-bis(1-phenylethyl)-2H-imidazole
SMILESCC(c1ccccc1)N1C=CN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H22N2/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19/h3-14,16-17H,15H2,1-2H3
InChIKeyPSMVKJLCEFTIBH-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.56
Rot. Bonds4

About 1,3-bis(1-phenylethyl)-2H-imidazole

1,3-bis(1-phenylethyl)-2H-imidazole (PubChem CID 15444165) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1,3-bis(1-phenylethyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(1-phenylethyl)-2H-imidazole
PubChem CID15444165
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1,3-bis(1-phenylethyl)-2H-imidazole
SMILESCC(c1ccccc1)N1C=CN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H22N2/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19/h3-14,16-17H,15H2,1-2H3
InChIKeyPSMVKJLCEFTIBH-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-phenylethyl)-2H-imidazole?
The IUPAC name of 1,3-bis(1-phenylethyl)-2H-imidazole (CID 15444165) is 1,3-bis(1-phenylethyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(1-phenylethyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(1-phenylethyl)-2H-imidazole is CC(c1ccccc1)N1C=CN(C(C)c2ccccc2)C1.
What is the InChIKey of 1,3-bis(1-phenylethyl)-2H-imidazole?
The InChIKey is PSMVKJLCEFTIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-16(18-9-5-3-6-10-18)20-13-14-21(15-20)17(2)19-11-7-4-8-12-19/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 1,3-bis(1-phenylethyl)-2H-imidazole?
1,3-bis(1-phenylethyl)-2H-imidazole has a molecular weight of 278.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-phenylethyl)-2H-imidazole is sourced from PubChem (CID 15444165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).