2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C27H27N5O — CID 71585509

IUPAC2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C27H27N5O/c1-21-8-7-11-23(18-21)24-19-32(27(29-24)22-9-3-2-4-10-22)20-26(33)31-16-14-30(15-17-31)25-12-5-6-13-28-25/h2-13,18-19H,14-17,20H2,1H3
InChIKeyFTYFZVAIHWGNGW-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71585509) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71585509
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C27H27N5O/c1-21-8-7-11-23(18-21)24-19-32(27(29-24)22-9-3-2-4-10-22)20-26(33)31-16-14-30(15-17-31)25-12-5-6-13-28-25/h2-13,18-19H,14-17,20H2,1H3
InChIKeyFTYFZVAIHWGNGW-UHFFFAOYSA-N
XLogP4.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71585509) is 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1cccc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FTYFZVAIHWGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-21-8-7-11-23(18-21)24-19-32(27(29-24)22-9-3-2-4-10-22)20-26(33)31-16-14-30(15-17-31)25-12-5-6-13-28-25/h2-13,18-19H,14-17,20H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 437.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71585509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).