2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride

C19H24ClN3 — CID 23131

IUPAC2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride
SMILESCC(C[NH+](C)C)n1c(Cc2ccccc2)nc2ccccc21.[Cl-]
InChIInChI=1S/C19H23N3.ClH/c1-15(14-21(2)3)22-18-12-8-7-11-17(18)20-19(22)13-16-9-5-4-6-10-16;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyKUCDXSLTWWYIID-UHFFFAOYSA-N
MW329.88 g/mol
LogP-0.66
Rot. Bonds5

About 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride

2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride (PubChem CID 23131) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride
PubChem CID23131
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride
SMILESCC(C[NH+](C)C)n1c(Cc2ccccc2)nc2ccccc21.[Cl-]
InChIInChI=1S/C19H23N3.ClH/c1-15(14-21(2)3)22-18-12-8-7-11-17(18)20-19(22)13-16-9-5-4-6-10-16;/h4-12,15H,13-14H2,1-3H3;1H
InChIKeyKUCDXSLTWWYIID-UHFFFAOYSA-N
XLogP-0.66
TPSA22.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 24629613
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride (CID 23131) is 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride is CC(C[NH+](C)C)n1c(Cc2ccccc2)nc2ccccc21.[Cl-].
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride?
The InChIKey is KUCDXSLTWWYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.ClH/c1-15(14-21(2)3)22-18-12-8-7-11-17(18)20-19(22)13-16-9-5-4-6-10-16;/h4-12,15H,13-14H2,1-3H3;1H.
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride?
2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride has a molecular weight of 329.88 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)propyl-dimethylazanium chloride is sourced from PubChem (CID 23131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).