1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole

C19H22N2O — CID 20806998

IUPAC1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole
SMILESCC1=C(C)N(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyPGKAQDJDCZKVNL-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.14
Rot. Bonds5

About 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole

1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole (PubChem CID 20806998) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole
PubChem CID20806998
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole
SMILESCC1=C(C)N(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyPGKAQDJDCZKVNL-UHFFFAOYSA-N
XLogP4.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20184756
1-Benzyl-1-phenylmethoxyurea
CID 22444379
N-benzyl-N-phenylmethoxypropan-2-amine
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N,N-diethyl-3-phenyloxaziridine-2-carboxamide
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3-Phenyl-2-[1,1,4-trimethyl-4-(3-phenyloxaziridin-2-yl)pentyl]oxaziridine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole?
The IUPAC name of 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole (CID 20806998) is 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole.
What is the SMILES notation for 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole?
The canonical SMILES for 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole is CC1=C(C)N(OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole?
The InChIKey is PGKAQDJDCZKVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3.
What are the key properties of 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole?
1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole has a molecular weight of 294.40 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dimethyl-3-phenylmethoxy-2H-imidazole is sourced from PubChem (CID 20806998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).