1,4-dimethylbenzimidazol-2-amine;dihydrochloride

C9H13Cl2N3 — CID 174932005

IUPAC1,4-dimethylbenzimidazol-2-amine;dihydrochloride
SMILESCc1cccc2c1nc(N)n2C.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-6-4-3-5-7-8(6)11-9(10)12(7)2;;/h3-5H,1-2H3,(H2,10,11);2*1H
InChIKeyUJRRTVWSLLUHOS-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.31
Rot. Bonds

About 1,4-dimethylbenzimidazol-2-amine;dihydrochloride

1,4-dimethylbenzimidazol-2-amine;dihydrochloride (PubChem CID 174932005) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1,4-dimethylbenzimidazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name1,4-dimethylbenzimidazol-2-amine;dihydrochloride
PubChem CID174932005
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name1,4-dimethylbenzimidazol-2-amine;dihydrochloride
SMILESCc1cccc2c1nc(N)n2C.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-6-4-3-5-7-8(6)11-9(10)12(7)2;;/h3-5H,1-2H3,(H2,10,11);2*1H
InChIKeyUJRRTVWSLLUHOS-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethylbenzimidazol-2-amine;dihydrochloride 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

Lerisetron
CID 65997
5,6-Dimethylbenzimidazole
CID 675
5-Methylbenzimidazole
CID 11979
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
2-Amino-1-methylbenzimidazole
CID 74187
5,6-Dimethylbenzimidazol-2-ylamine
CID 93125
1-ethyl-1H-1,3-benzodiazole
CID 485094
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
2-(1H-benzimidazol-2-yl)aniline
CID 79869
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylbenzimidazol-2-amine;dihydrochloride?
The IUPAC name of 1,4-dimethylbenzimidazol-2-amine;dihydrochloride (CID 174932005) is 1,4-dimethylbenzimidazol-2-amine;dihydrochloride.
What is the SMILES notation for 1,4-dimethylbenzimidazol-2-amine;dihydrochloride?
The canonical SMILES for 1,4-dimethylbenzimidazol-2-amine;dihydrochloride is Cc1cccc2c1nc(N)n2C.Cl.Cl.
What is the InChIKey of 1,4-dimethylbenzimidazol-2-amine;dihydrochloride?
The InChIKey is UJRRTVWSLLUHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-6-4-3-5-7-8(6)11-9(10)12(7)2;;/h3-5H,1-2H3,(H2,10,11);2*1H.
What are the key properties of 1,4-dimethylbenzimidazol-2-amine;dihydrochloride?
1,4-dimethylbenzimidazol-2-amine;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylbenzimidazol-2-amine;dihydrochloride is sourced from PubChem (CID 174932005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).