2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride

C23H20Cl2N4O3 — CID 45284358

IUPAC2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
SMILESCl.O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H19ClN4O3.ClH/c24-16-4-3-5-17(14-16)28-9-8-25-23(28)27-12-10-26(11-13-27)22(30)21-15-19(29)18-6-1-2-7-20(18)31-21;/h1-9,14-15H,10-13H2;1H
InChIKeyYMCQOUUFNDICJX-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.02
Rot. Bonds3

About 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride

2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride (PubChem CID 45284358) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
PubChem CID45284358
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
SMILESCl.O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H19ClN4O3.ClH/c24-16-4-3-5-17(14-16)28-9-8-25-23(28)27-12-10-26(11-13-27)22(30)21-15-19(29)18-6-1-2-7-20(18)31-21;/h1-9,14-15H,10-13H2;1H
InChIKeyYMCQOUUFNDICJX-UHFFFAOYSA-N
XLogP4.02
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-cyclopropylmethanone;hydrochloride
CID 45284327
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 42111123
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]isochromen-1-one
CID 1221111
1-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 42111100
2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
CID 27563251
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]chromen-4-one
CID 71800346
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 45284394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride (CID 45284358) is 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride is Cl.O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?
The InChIKey is YMCQOUUFNDICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3.ClH/c24-16-4-3-5-17(14-16)28-9-8-25-23(28)27-12-10-26(11-13-27)22(30)21-15-19(29)18-6-1-2-7-20(18)31-21;/h1-9,14-15H,10-13H2;1H.
What are the key properties of 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?
2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride has a molecular weight of 471.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazine-1-carbonyl]chromen-4-one;hydrochloride is sourced from PubChem (CID 45284358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).