[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone

C28H27ClN4O2 — CID 44578251

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C28H27ClN4O2/c1-20-9-11-21(12-10-20)27-30-26(19-33(27)24-7-4-8-25(18-24)35-2)28(34)32-15-13-31(14-16-32)23-6-3-5-22(29)17-23/h3-12,17-19H,13-16H2,1-2H3
InChIKeyNCMZUUDIJSSYOQ-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.47
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone (PubChem CID 44578251) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone
PubChem CID44578251
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C28H27ClN4O2/c1-20-9-11-21(12-10-20)27-30-26(19-33(27)24-7-4-8-25(18-24)35-2)28(34)32-15-13-31(14-16-32)23-6-3-5-22(29)17-23/h3-12,17-19H,13-16H2,1-2H3
InChIKeyNCMZUUDIJSSYOQ-UHFFFAOYSA-N
XLogP5.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone (CID 44578251) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone is COc1cccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone?
The InChIKey is NCMZUUDIJSSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-20-9-11-21(12-10-20)27-30-26(19-33(27)24-7-4-8-25(18-24)35-2)28(34)32-15-13-31(14-16-32)23-6-3-5-22(29)17-23/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone has a molecular weight of 487.00 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]methanone is sourced from PubChem (CID 44578251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).