(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone

C15H18N2O2 — CID 764412

IUPAC(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-9-13(17(15)3)14(18)11-5-7-12(19-4)8-6-11/h5-10H,1-4H3
InChIKeyMDLMOSQGQMAPDX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds4

About (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone

(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone (PubChem CID 764412) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone
PubChem CID764412
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)15-16-9-13(17(15)3)14(18)11-5-7-12(19-4)8-6-11/h5-10H,1-4H3
InChIKeyMDLMOSQGQMAPDX-UHFFFAOYSA-N
XLogP2.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone (CID 764412) is (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone is COc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is MDLMOSQGQMAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)15-16-9-13(17(15)3)14(18)11-5-7-12(19-4)8-6-11/h5-10H,1-4H3.
What are the key properties of (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone?
(4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 764412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).