2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride

C18H21ClN2 — CID 163355751

IUPAC2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc(CCCc2nc3ccccc3[nH]2)cc1C.Cl
InChIInChI=1S/C18H20N2.ClH/c1-13-10-11-15(12-14(13)2)6-5-9-18-19-16-7-3-4-8-17(16)20-18;/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,19,20);1H
InChIKeyGPAZQHVSJFCXLD-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.78
Rot. Bonds4

About 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride

2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride (PubChem CID 163355751) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
PubChem CID163355751
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc(CCCc2nc3ccccc3[nH]2)cc1C.Cl
InChIInChI=1S/C18H20N2.ClH/c1-13-10-11-15(12-14(13)2)6-5-9-18-19-16-7-3-4-8-17(16)20-18;/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,19,20);1H
InChIKeyGPAZQHVSJFCXLD-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride (CID 163355751) is 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride is Cc1ccc(CCCc2nc3ccccc3[nH]2)cc1C.Cl.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride?
The InChIKey is GPAZQHVSJFCXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.ClH/c1-13-10-11-15(12-14(13)2)6-5-9-18-19-16-7-3-4-8-17(16)20-18;/h3-4,7-8,10-12H,5-6,9H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride?
2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 163355751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).