[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone

C32H25N3O2 — CID 10390566

IUPAC[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone
SMILESCn1cncc1Cn1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C32H25N3O2/c1-34-22-33-18-25(34)19-35-20-30(29-13-7-9-23-8-5-6-12-28(23)29)31(21-35)32(36)24-14-16-27(17-15-24)37-26-10-3-2-4-11-26/h2-18,20-22H,19H2,1H3
InChIKeyCROAYTAFPRXEFL-UHFFFAOYSA-N
MW483.57 g/mol
LogP7.11
Rot. Bonds7

About [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone

[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 10390566) has the molecular formula C32H25N3O2 and a molecular weight of 483.57 g/mol. Its IUPAC name is [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID10390566
Molecular FormulaC32H25N3O2
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Name[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone
SMILESCn1cncc1Cn1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C32H25N3O2/c1-34-22-33-18-25(34)19-35-20-30(29-13-7-9-23-8-5-6-12-28(23)29)31(21-35)32(36)24-14-16-27(17-15-24)37-26-10-3-2-4-11-26/h2-18,20-22H,19H2,1H3
InChIKeyCROAYTAFPRXEFL-UHFFFAOYSA-N
XLogP7.11
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone (CID 10390566) is [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone is Cn1cncc1Cn1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2cccc3ccccc23)c1.
What is the InChIKey of [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is CROAYTAFPRXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O2/c1-34-22-33-18-25(34)19-35-20-30(29-13-7-9-23-8-5-6-12-28(23)29)31(21-35)32(36)24-14-16-27(17-15-24)37-26-10-3-2-4-11-26/h2-18,20-22H,19H2,1H3.
What are the key properties of [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone?
[1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 483.57 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 10390566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).