1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one

C20H16Cl4N4O — CID 162674014

IUPAC1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3c(Cl)cc(Cl)cc3[nH]2)c1=O
InChIInChI=1S/C20H16Cl4N4O/c1-2-28-14(5-11-3-4-12(21)6-15(11)23)9-27(20(28)29)10-18-25-17-8-13(22)7-16(24)19(17)26-18/h3-4,6-9H,2,5,10H2,1H3,(H,25,26)
InChIKeyVSCQLUNGEINBNV-UHFFFAOYSA-N
MW470.19 g/mol
LogP5.80
Rot. Bonds5

About 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one

1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one (PubChem CID 162674014) has the molecular formula C20H16Cl4N4O and a molecular weight of 470.19 g/mol. Its IUPAC name is 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
PubChem CID162674014
Molecular FormulaC20H16Cl4N4O
Molecular Weight470.19 g/mol
Exact Mass468.01
IUPAC Name1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3c(Cl)cc(Cl)cc3[nH]2)c1=O
InChIInChI=1S/C20H16Cl4N4O/c1-2-28-14(5-11-3-4-12(21)6-15(11)23)9-27(20(28)29)10-18-25-17-8-13(22)7-16(24)19(17)26-18/h3-4,6-9H,2,5,10H2,1H3,(H,25,26)
InChIKeyVSCQLUNGEINBNV-UHFFFAOYSA-N
XLogP5.80
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.19
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one (CID 162674014) is 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one is CCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3c(Cl)cc(Cl)cc3[nH]2)c1=O.
What is the InChIKey of 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is VSCQLUNGEINBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl4N4O/c1-2-28-14(5-11-3-4-12(21)6-15(11)23)9-27(20(28)29)10-18-25-17-8-13(22)7-16(24)19(17)26-18/h3-4,6-9H,2,5,10H2,1H3,(H,25,26).
What are the key properties of 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one?
1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 470.19 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 162674014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).