4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C24H20Cl2N6O2 — CID 135681820

IUPAC4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cc(Cl)cc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H20Cl2N6O2/c1-13-6-17(32-5-4-27-12-32)10-19-22(13)31-23(30-19)21-18(2-3-28-24(21)34)29-11-20(33)14-7-15(25)9-16(26)8-14/h2-10,12,20,33H,11H2,1H3,(H,30,31)(H2,28,29,34)
InChIKeyOZKHBJNCGRDAAE-UHFFFAOYSA-N
MW495.37 g/mol
LogP4.86
Rot. Bonds6

About 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135681820) has the molecular formula C24H20Cl2N6O2 and a molecular weight of 495.37 g/mol. Its IUPAC name is 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135681820
Molecular FormulaC24H20Cl2N6O2
Molecular Weight495.37 g/mol
Exact Mass494.10
IUPAC Name4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cc(Cl)cc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H20Cl2N6O2/c1-13-6-17(32-5-4-27-12-32)10-19-22(13)31-23(30-19)21-18(2-3-28-24(21)34)29-11-20(33)14-7-15(25)9-16(26)8-14/h2-10,12,20,33H,11H2,1H3,(H,30,31)(H2,28,29,34)
InChIKeyOZKHBJNCGRDAAE-UHFFFAOYSA-N
XLogP4.86
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681565
4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681763
4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135530495
4-[[2-(3-bromo-4-methylphenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681618
3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyridin-2-one
CID 135681854
N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 135452916
4-[[2-(5-bromo-2-methoxyphenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681647
ethyl N-[4-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]-2-(iodomethyl)phenyl]carbamate
CID 136595934
2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethylcarbamic acid
CID 135681637
N-[2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]-1-phenylethyl]benzenesulfonamide
CID 135681930
4-[[3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681732
4-[[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135553372

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135681820) is 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4cc(Cl)cc(Cl)c4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is OZKHBJNCGRDAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O2/c1-13-6-17(32-5-4-27-12-32)10-19-22(13)31-23(30-19)21-18(2-3-28-24(21)34)29-11-20(33)14-7-15(25)9-16(26)8-14/h2-10,12,20,33H,11H2,1H3,(H,30,31)(H2,28,29,34).
What are the key properties of 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 495.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135681820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).