[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone

C20H19ClN4O — CID 42111101

IUPAC[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-7-4-8-18(15-17)25-10-9-22-20(25)24-13-11-23(12-14-24)19(26)16-5-2-1-3-6-16/h1-10,15H,11-14H2
InChIKeyPPSSPDNVMUUDJG-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.49
Rot. Bonds3

About [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone

[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 42111101) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
PubChem CID42111101
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-7-4-8-18(15-17)25-10-9-22-20(25)24-13-11-23(12-14-24)19(26)16-5-2-1-3-6-16/h1-10,15H,11-14H2
InChIKeyPPSSPDNVMUUDJG-UHFFFAOYSA-N
XLogP3.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
CID 45284327
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 42111100
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 45284358
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 45284394
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
(3-chlorophenyl)-[4-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 16647053
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone (CID 42111101) is [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is PPSSPDNVMUUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-7-4-8-18(15-17)25-10-9-22-20(25)24-13-11-23(12-14-24)19(26)16-5-2-1-3-6-16/h1-10,15H,11-14H2.
What are the key properties of [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 366.85 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 42111101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).