(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone

C23H19N3O2 — CID 155538741

IUPAC(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone
SMILESCOc1ccccc1C(=O)c1cnc(Nc2cccc(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C23H19N3O2/c1-28-21-13-6-5-12-19(21)22(27)20-15-24-23(26-20)25-18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-15H,1H3,(H2,24,25,26)
InChIKeyDOQAHWRCGUBULL-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.06
Rot. Bonds6

About (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone

(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone (PubChem CID 155538741) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone
PubChem CID155538741
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone
SMILESCOc1ccccc1C(=O)c1cnc(Nc2cccc(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C23H19N3O2/c1-28-21-13-6-5-12-19(21)22(27)20-15-24-23(26-20)25-18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-15H,1H3,(H2,24,25,26)
InChIKeyDOQAHWRCGUBULL-UHFFFAOYSA-N
XLogP5.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone (CID 155538741) is (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone is COc1ccccc1C(=O)c1cnc(Nc2cccc(-c3ccccc3)c2)[nH]1.
What is the InChIKey of (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone?
The InChIKey is DOQAHWRCGUBULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-21-13-6-5-12-19(21)22(27)20-15-24-23(26-20)25-18-11-7-10-17(14-18)16-8-3-2-4-9-16/h2-15H,1H3,(H2,24,25,26).
What are the key properties of (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone?
(2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[2-(3-phenylanilino)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 155538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).