5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

C16H14Cl2N2 — CID 39158463

IUPAC5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14Cl2N2/c1-10-2-4-11(5-3-10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyAPTLQOXSAKQRFR-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.96
Rot. Bonds3

About 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (PubChem CID 39158463) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
PubChem CID39158463
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14Cl2N2/c1-10-2-4-11(5-3-10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyAPTLQOXSAKQRFR-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.96
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-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (CID 39158463) is 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is Cc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The InChIKey is APTLQOXSAKQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-2-4-11(5-3-10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole has a molecular weight of 305.21 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 39158463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).