5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

C24H21Cl2N5O2 — CID 66755447

IUPAC5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=C(C(c1ccccc1)n1c(=O)[nH]c2cc(Cl)c(Cl)cc21)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H21Cl2N5O2/c25-18-14-20-21(15-19(18)26)31(24(33)28-20)22(16-4-2-1-3-5-16)23(32)30-12-10-29(11-13-30)17-6-8-27-9-7-17/h1-9,14-15,22H,10-13H2,(H,28,33)
InChIKeyKFHITCGKYFYDMY-UHFFFAOYSA-N
MW482.37 g/mol
LogP3.97
Rot. Bonds4

About 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one

5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 66755447) has the molecular formula C24H21Cl2N5O2 and a molecular weight of 482.37 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID66755447
Molecular FormulaC24H21Cl2N5O2
Molecular Weight482.37 g/mol
Exact Mass481.11
IUPAC Name5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=C(C(c1ccccc1)n1c(=O)[nH]c2cc(Cl)c(Cl)cc21)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H21Cl2N5O2/c25-18-14-20-21(15-19(18)26)31(24(33)28-20)22(16-4-2-1-3-5-16)23(32)30-12-10-29(11-13-30)17-6-8-27-9-7-17/h1-9,14-15,22H,10-13H2,(H,28,33)
InChIKeyKFHITCGKYFYDMY-UHFFFAOYSA-N
XLogP3.97
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

5-chloro-3-[1-oxo-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-1H-benzimidazol-2-one
CID 66755456
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 110879969
tert-butyl 4-[4-[2-(6-chloro-2-oxo-3H-benzimidazol-1-yl)-2-phenylacetyl]piperazin-1-yl]piperidine-1-carboxylate
CID 66754935
N-[(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 22945416
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 97193821
3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41097092
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chlorophenyl)piperazin-1-yl]-2-phenylethanone
CID 21071093
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one (CID 66755447) is 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is O=C(C(c1ccccc1)n1c(=O)[nH]c2cc(Cl)c(Cl)cc21)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is KFHITCGKYFYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O2/c25-18-14-20-21(15-19(18)26)31(24(33)28-20)22(16-4-2-1-3-5-16)23(32)30-12-10-29(11-13-30)17-6-8-27-9-7-17/h1-9,14-15,22H,10-13H2,(H,28,33).
What are the key properties of 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one?
5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 482.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-oxo-1-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 66755447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).