5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole

C11H10Cl2N2 — CID 66969095

IUPAC5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)c1nc2cc(Cl)c(Cl)cc2n1C
InChIInChI=1S/C11H10Cl2N2/c1-6(2)11-14-9-4-7(12)8(13)5-10(9)15(11)3/h4-5H,1H2,2-3H3
InChIKeyFVJWITXSXNSHDX-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.91
Rot. Bonds1

About 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole

5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole (PubChem CID 66969095) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
PubChem CID66969095
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)c1nc2cc(Cl)c(Cl)cc2n1C
InChIInChI=1S/C11H10Cl2N2/c1-6(2)11-14-9-4-7(12)8(13)5-10(9)15(11)3/h4-5H,1H2,2-3H3
InChIKeyFVJWITXSXNSHDX-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole?
The IUPAC name of 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole (CID 66969095) is 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole.
What is the SMILES notation for 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole?
The canonical SMILES for 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole is C=C(C)c1nc2cc(Cl)c(Cl)cc2n1C.
What is the InChIKey of 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole?
The InChIKey is FVJWITXSXNSHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-6(2)11-14-9-4-7(12)8(13)5-10(9)15(11)3/h4-5H,1H2,2-3H3.
What are the key properties of 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole?
5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole has a molecular weight of 241.12 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-2-prop-1-en-2-ylbenzimidazole is sourced from PubChem (CID 66969095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).