(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C17H21ClN4O — CID 90533707

IUPAC(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN4O/c1-14-19-6-7-21(14)11-8-20-9-12-22(13-10-20)17(23)15-2-4-16(18)5-3-15/h2-7H,8-13H2,1H3
InChIKeyDNGAIMGHFNKLIZ-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.30
Rot. Bonds4

About (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90533707) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90533707
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1nccn1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H21ClN4O/c1-14-19-6-7-21(14)11-8-20-9-12-22(13-10-20)17(23)15-2-4-16(18)5-3-15/h2-7H,8-13H2,1H3
InChIKeyDNGAIMGHFNKLIZ-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
(3,4-difluorophenyl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561564
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
2-(2-methylimidazol-1-yl)ethyl 4-chlorobenzoate
CID 171987057
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542
N,N-dimethyl-4-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 90561115

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90533707) is (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is Cc1nccn1CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is DNGAIMGHFNKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-14-19-6-7-21(14)11-8-20-9-12-22(13-10-20)17(23)15-2-4-16(18)5-3-15/h2-7H,8-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 332.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90533707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).