(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone

C18H16N2O — CID 11087037

IUPAC(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone
SMILESCc1ccc(C(=O)c2ncc(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-12-3-7-14(8-4-12)16-11-19-18(20-16)17(21)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,19,20)
InChIKeyBTABWQAHKDDQQX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.92
Rot. Bonds3

About (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone

(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone (PubChem CID 11087037) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone
PubChem CID11087037
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone
SMILESCc1ccc(C(=O)c2ncc(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C18H16N2O/c1-12-3-7-14(8-4-12)16-11-19-18(20-16)17(21)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,19,20)
InChIKeyBTABWQAHKDDQQX-UHFFFAOYSA-N
XLogP3.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone (CID 11087037) is (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone is Cc1ccc(C(=O)c2ncc(-c3ccc(C)cc3)[nH]2)cc1.
What is the InChIKey of (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone?
The InChIKey is BTABWQAHKDDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-3-7-14(8-4-12)16-11-19-18(20-16)17(21)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,19,20).
What are the key properties of (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone?
(4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[5-(4-methylphenyl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 11087037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).