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

C16H14Cl2N2O — CID 82005586

IUPAC5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
SMILESCOc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-11-5-2-10(3-6-11)4-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20)
InChIKeySASYEOROXXCAFV-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.66
Rot. Bonds4

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

5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole (PubChem CID 82005586) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
PubChem CID82005586
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
SMILESCOc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-11-5-2-10(3-6-11)4-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20)
InChIKeySASYEOROXXCAFV-UHFFFAOYSA-N
XLogP4.66
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260
5,6-dichloro-2-(3-ethoxypropyl)-1H-benzimidazole
CID 82003888
5,6-dichloro-2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1H-benzimidazole
CID 50754078
5,6-dichloro-2-(2-thiophen-2-ylethyl)-1H-benzimidazole
CID 11846692
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 59018410
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole (CID 82005586) is 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole is COc1ccc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole?
The InChIKey is SASYEOROXXCAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-21-11-5-2-10(3-6-11)4-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-3,5-6,8-9H,4,7H2,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole?
5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole has a molecular weight of 321.21 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82005586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).