6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride

C18H18Cl2N4O2 — CID 19348089

IUPAC6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride
SMILESCOc1ccc(OCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1.Cl.Cl
InChIInChI=1S/C18H16N4O2.2ClH/c1-23-14-3-5-15(6-4-14)24-11-18-20-16-7-2-13(10-17(16)21-18)22-9-8-19-12-22;;/h2-10,12H,11H2,1H3,(H,20,21);2*1H
InChIKeyCDFXOULRKMIMGR-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.18
Rot. Bonds5

About 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride

6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride (PubChem CID 19348089) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride
PubChem CID19348089
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride
SMILESCOc1ccc(OCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1.Cl.Cl
InChIInChI=1S/C18H16N4O2.2ClH/c1-23-14-3-5-15(6-4-14)24-11-18-20-16-7-2-13(10-17(16)21-18)22-9-8-19-12-22;;/h2-10,12H,11H2,1H3,(H,20,21);2*1H
InChIKeyCDFXOULRKMIMGR-UHFFFAOYSA-N
XLogP4.18
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride?
The IUPAC name of 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride (CID 19348089) is 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride is COc1ccc(OCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1.Cl.Cl.
What is the InChIKey of 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride?
The InChIKey is CDFXOULRKMIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.2ClH/c1-23-14-3-5-15(6-4-14)24-11-18-20-16-7-2-13(10-17(16)21-18)22-9-8-19-12-22;;/h2-10,12H,11H2,1H3,(H,20,21);2*1H.
What are the key properties of 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride?
6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride has a molecular weight of 393.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 19348089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).