6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride

C18H19ClN4 — CID 24746940

IUPAC6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc2nc(CCc3nc4ccc(C)cc4[nH]3)[nH]c2c1.Cl
InChIInChI=1S/C18H18N4.ClH/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18;/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyQQHFARBICKOTRW-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.26
Rot. Bonds3

About 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride

6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride (PubChem CID 24746940) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride
PubChem CID24746940
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc2nc(CCc3nc4ccc(C)cc4[nH]3)[nH]c2c1.Cl
InChIInChI=1S/C18H18N4.ClH/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18;/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyQQHFARBICKOTRW-UHFFFAOYSA-N
XLogP4.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride (CID 24746940) is 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride is Cc1ccc2nc(CCc3nc4ccc(C)cc4[nH]3)[nH]c2c1.Cl.
What is the InChIKey of 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride?
The InChIKey is QQHFARBICKOTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.ClH/c1-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(2)10-16(14)22-18;/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride?
6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 24746940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).