[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone

C20H20ClN5O — CID 87011035

IUPAC[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-18-3-1-2-16(12-18)14-24-8-10-25(11-9-24)20(27)17-4-5-23-19(13-17)26-7-6-22-15-26/h1-7,12-13,15H,8-11,14H2
InChIKeyOKLQYJOALKDPJR-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.88
Rot. Bonds4

About [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone (PubChem CID 87011035) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
PubChem CID87011035
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-18-3-1-2-16(12-18)14-24-8-10-25(11-9-24)20(27)17-4-5-23-19(13-17)26-7-6-22-15-26/h1-7,12-13,15H,8-11,14H2
InChIKeyOKLQYJOALKDPJR-UHFFFAOYSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95613153
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 36998498
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 31619646
(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19279143
1,3-benzodioxol-5-yl-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642805

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone (CID 87011035) is [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(-n2ccnc2)c1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The InChIKey is OKLQYJOALKDPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-18-3-1-2-16(12-18)14-24-8-10-25(11-9-24)20(27)17-4-5-23-19(13-17)26-7-6-22-15-26/h1-7,12-13,15H,8-11,14H2.
What are the key properties of [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone has a molecular weight of 381.87 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 87011035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).