[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

C17H21ClN4O — CID 95619699

IUPAC[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)[nH]1
InChIInChI=1S/C17H21ClN4O/c1-12(14-5-3-4-6-15(14)18)21-7-9-22(10-8-21)17(23)16-11-19-13(2)20-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyKGZCWGGEYPWGEU-GFCCVEGCSA-N
MW332.84 g/mol
LogP2.89
Rot. Bonds3

About [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (PubChem CID 95619699) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
PubChem CID95619699
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)[nH]1
InChIInChI=1S/C17H21ClN4O/c1-12(14-5-3-4-6-15(14)18)21-7-9-22(10-8-21)17(23)16-11-19-13(2)20-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyKGZCWGGEYPWGEU-GFCCVEGCSA-N
XLogP2.89
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95768224
[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 146084270
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 46579613
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 38418024
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
1-[5-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 55830279
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119852095

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (CID 95619699) is [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is Cc1ncc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)[nH]1.
What is the InChIKey of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The InChIKey is KGZCWGGEYPWGEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(14-5-3-4-6-15(14)18)21-7-9-22(10-8-21)17(23)16-11-19-13(2)20-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone has a molecular weight of 332.84 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 95619699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).