1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one

C24H27ClN4O — CID 71590980

IUPAC1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one
SMILESCc1nccn1CC(=O)CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H27ClN4O/c1-19-26-11-12-29(19)18-23(30)17-27-13-15-28(16-14-27)24(20-5-3-2-4-6-20)21-7-9-22(25)10-8-21/h2-12,24H,13-18H2,1H3
InChIKeyORLVFZKKGBJIPQ-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.82
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one

1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one (PubChem CID 71590980) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one
PubChem CID71590980
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one
SMILESCc1nccn1CC(=O)CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H27ClN4O/c1-19-26-11-12-29(19)18-23(30)17-27-13-15-28(16-14-27)24(20-5-3-2-4-6-20)21-7-9-22(25)10-8-21/h2-12,24H,13-18H2,1H3
InChIKeyORLVFZKKGBJIPQ-UHFFFAOYSA-N
XLogP3.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(4-nitroimidazol-1-yl)propan-2-one
CID 71591118
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-4-carboxylic acid
CID 89474863
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
1-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]propan-2-one
CID 58692302
2-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]acetic acid
CID 169450832
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-[3-(dimethylamino)-1,4-dioxonaphthalen-2-yl]-N-methylacetamide
CID 11387366
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
methyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]pyridine-3-carboxylate
CID 54333887

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one?
The IUPAC name of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one (CID 71590980) is 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one?
The canonical SMILES for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one is Cc1nccn1CC(=O)CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one?
The InChIKey is ORLVFZKKGBJIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-19-26-11-12-29(19)18-23(30)17-27-13-15-28(16-14-27)24(20-5-3-2-4-6-20)21-7-9-22(25)10-8-21/h2-12,24H,13-18H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one?
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one has a molecular weight of 422.96 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-2-one is sourced from PubChem (CID 71590980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).