[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone

C24H22N4O2 — CID 155551367

IUPAC[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESCC(C)Oc1cccc(Nc2ncc(C(=O)c3cccc(-c4ccncc4)c3)[nH]2)c1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-21-8-4-7-20(14-21)27-24-26-15-22(28-24)23(29)19-6-3-5-18(13-19)17-9-11-25-12-10-17/h3-16H,1-2H3,(H2,26,27,28)
InChIKeyWDNDEZYZLJXVOJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.23
Rot. Bonds7

About [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone

[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone (PubChem CID 155551367) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone
PubChem CID155551367
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESCC(C)Oc1cccc(Nc2ncc(C(=O)c3cccc(-c4ccncc4)c3)[nH]2)c1
InChIInChI=1S/C24H22N4O2/c1-16(2)30-21-8-4-7-20(14-21)27-24-26-15-22(28-24)23(29)19-6-3-5-18(13-19)17-9-11-25-12-10-17/h3-16H,1-2H3,(H2,26,27,28)
InChIKeyWDNDEZYZLJXVOJ-UHFFFAOYSA-N
XLogP5.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone?
The IUPAC name of [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone (CID 155551367) is [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone is CC(C)Oc1cccc(Nc2ncc(C(=O)c3cccc(-c4ccncc4)c3)[nH]2)c1.
What is the InChIKey of [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone?
The InChIKey is WDNDEZYZLJXVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(2)30-21-8-4-7-20(14-21)27-24-26-15-22(28-24)23(29)19-6-3-5-18(13-19)17-9-11-25-12-10-17/h3-16H,1-2H3,(H2,26,27,28).
What are the key properties of [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone?
[2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone has a molecular weight of 398.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-yloxyanilino)-1H-imidazol-5-yl]-(3-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 155551367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).