1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride

C13H23Cl3N4 — CID 51051984

IUPAC1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
SMILESCc1nc2cc(N)ccc2n1CCCN(C)C.Cl.Cl.Cl
InChIInChI=1S/C13H20N4.3ClH/c1-10-15-12-9-11(14)5-6-13(12)17(10)8-4-7-16(2)3;;;/h5-6,9H,4,7-8,14H2,1-3H3;3*1H
InChIKeyVGZHWGZOXWKBBX-UHFFFAOYSA-N
MW341.71 g/mol
LogP3.14
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride

1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride (PubChem CID 51051984) has the molecular formula C13H23Cl3N4 and a molecular weight of 341.71 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
PubChem CID51051984
Molecular FormulaC13H23Cl3N4
Molecular Weight341.71 g/mol
Exact Mass340.10
IUPAC Name1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
SMILESCc1nc2cc(N)ccc2n1CCCN(C)C.Cl.Cl.Cl
InChIInChI=1S/C13H20N4.3ClH/c1-10-15-12-9-11(14)5-6-13(12)17(10)8-4-7-16(2)3;;;/h5-6,9H,4,7-8,14H2,1-3H3;3*1H
InChIKeyVGZHWGZOXWKBBX-UHFFFAOYSA-N
XLogP3.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.71
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride (CID 51051984) is 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride is Cc1nc2cc(N)ccc2n1CCCN(C)C.Cl.Cl.Cl.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride?
The InChIKey is VGZHWGZOXWKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4.3ClH/c1-10-15-12-9-11(14)5-6-13(12)17(10)8-4-7-16(2)3;;;/h5-6,9H,4,7-8,14H2,1-3H3;3*1H.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride?
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride has a molecular weight of 341.71 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride is sourced from PubChem (CID 51051984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).