5,6-dichloro-2-propan-2-yl-1H-benzimidazole

C10H10Cl2N2 — CID 21050404

IUPAC5,6-dichloro-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H10Cl2N2/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3,(H,13,14)
InChIKeyILUBEXPRZQKVAV-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.99
Rot. Bonds1

About 5,6-dichloro-2-propan-2-yl-1H-benzimidazole

5,6-dichloro-2-propan-2-yl-1H-benzimidazole (PubChem CID 21050404) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 5,6-dichloro-2-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-propan-2-yl-1H-benzimidazole
PubChem CID21050404
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name5,6-dichloro-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H10Cl2N2/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3,(H,13,14)
InChIKeyILUBEXPRZQKVAV-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-propan-2-yl-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-propan-2-yl-1H-benzimidazole (CID 21050404) is 5,6-dichloro-2-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-propan-2-yl-1H-benzimidazole is CC(C)c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-2-propan-2-yl-1H-benzimidazole?
The InChIKey is ILUBEXPRZQKVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5,6-dichloro-2-propan-2-yl-1H-benzimidazole?
5,6-dichloro-2-propan-2-yl-1H-benzimidazole has a molecular weight of 229.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 21050404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).