5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole

C17H14Cl4N4 — CID 67605754

IUPAC5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
SMILESCCn1cnc2cc(Cl)c(Cl)cc21.Cn1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H8Cl2N2.C8H6Cl2N2/c1-2-13-5-12-8-3-6(10)7(11)4-9(8)13;1-12-4-11-7-2-5(9)6(10)3-8(7)12/h3-5H,2H2,1H3;2-4H,1H3
InChIKeyFUINYJMSMFHAPY-UHFFFAOYSA-N
MW416.14 g/mol
LogP6.24
Rot. Bonds1

About 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole

5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole (PubChem CID 67605754) has the molecular formula C17H14Cl4N4 and a molecular weight of 416.14 g/mol. Its IUPAC name is 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
PubChem CID67605754
Molecular FormulaC17H14Cl4N4
Molecular Weight416.14 g/mol
Exact Mass414.00
IUPAC Name5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole
SMILESCCn1cnc2cc(Cl)c(Cl)cc21.Cn1cnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H8Cl2N2.C8H6Cl2N2/c1-2-13-5-12-8-3-6(10)7(11)4-9(8)13;1-12-4-11-7-2-5(9)6(10)3-8(7)12/h3-5H,2H2,1H3;2-4H,1H3
InChIKeyFUINYJMSMFHAPY-UHFFFAOYSA-N
XLogP6.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.14
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole?
The IUPAC name of 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole (CID 67605754) is 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole.
What is the SMILES notation for 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole?
The canonical SMILES for 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole is CCn1cnc2cc(Cl)c(Cl)cc21.Cn1cnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole?
The InChIKey is FUINYJMSMFHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2.C8H6Cl2N2/c1-2-13-5-12-8-3-6(10)7(11)4-9(8)13;1-12-4-11-7-2-5(9)6(10)3-8(7)12/h3-5H,2H2,1H3;2-4H,1H3.
What are the key properties of 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole?
5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole has a molecular weight of 416.14 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-ethylbenzimidazole;5,6-dichloro-1-methylbenzimidazole is sourced from PubChem (CID 67605754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).