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

C24H21N3O2 — CID 155545580

IUPAC[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(Nc2cccc(Cc3ccccc3)c2)[nH]1
InChIInChI=1S/C24H21N3O2/c1-29-22-13-6-5-12-20(22)23(28)21-16-25-24(27-21)26-19-11-7-10-18(15-19)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H2,25,26,27)
InChIKeyDTSZPWZOZUOTOP-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.98
Rot. Bonds7

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

[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone (PubChem CID 155545580) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone
PubChem CID155545580
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cnc(Nc2cccc(Cc3ccccc3)c2)[nH]1
InChIInChI=1S/C24H21N3O2/c1-29-22-13-6-5-12-20(22)23(28)21-16-25-24(27-21)26-19-11-7-10-18(15-19)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H2,25,26,27)
InChIKeyDTSZPWZOZUOTOP-UHFFFAOYSA-N
XLogP4.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone (CID 155545580) is [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cnc(Nc2cccc(Cc3ccccc3)c2)[nH]1.
What is the InChIKey of [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone?
The InChIKey is DTSZPWZOZUOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-22-13-6-5-12-20(22)23(28)21-16-25-24(27-21)26-19-11-7-10-18(15-19)14-17-8-3-2-4-9-17/h2-13,15-16H,14H2,1H3,(H2,25,26,27).
What are the key properties of [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone?
[2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone has a molecular weight of 383.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-benzylanilino)-1H-imidazol-5-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 155545580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).