(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

C24H29ClN4O — CID 53200218

IUPAC(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H29ClN4O/c1-24(2,3)19-9-7-18(8-10-19)22(30)29-12-11-26-23(29)28-15-13-27(14-16-28)21-6-4-5-20(25)17-21/h4-10,17H,11-16H2,1-3H3
InChIKeyWYICRFDNOXEJTH-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.27
Rot. Bonds2

About (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53200218) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53200218
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H29ClN4O/c1-24(2,3)19-9-7-18(8-10-19)22(30)29-12-11-26-23(29)28-15-13-27(14-16-28)21-6-4-5-20(25)17-21/h4-10,17H,11-16H2,1-3H3
InChIKeyWYICRFDNOXEJTH-UHFFFAOYSA-N
XLogP4.27
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 53037832
(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 121477788
(2S)-4-(4-tert-butylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 1206928
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
CID 53037868
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078219
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(4-tert-butylphenyl)-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4244807
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (CID 53200218) is (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN=C2N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is WYICRFDNOXEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-24(2,3)19-9-7-18(8-10-19)22(30)29-12-11-26-23(29)28-15-13-27(14-16-28)21-6-4-5-20(25)17-21/h4-10,17H,11-16H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 424.98 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).