1,5,6-trimethylbenzimidazol-2-amine;hydrochloride

C10H14ClN3 — CID 72710310

IUPAC1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
SMILESCc1cc2nc(N)n(C)c2cc1C.Cl
InChIInChI=1S/C10H13N3.ClH/c1-6-4-8-9(5-7(6)2)13(3)10(11)12-8;/h4-5H,1-3H3,(H2,11,12);1H
InChIKeyBLILQAHJJGXUDG-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.19
Rot. Bonds

About 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride

1,5,6-trimethylbenzimidazol-2-amine;hydrochloride (PubChem CID 72710310) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
PubChem CID72710310
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
SMILESCc1cc2nc(N)n(C)c2cc1C.Cl
InChIInChI=1S/C10H13N3.ClH/c1-6-4-8-9(5-7(6)2)13(3)10(11)12-8;/h4-5H,1-3H3,(H2,11,12);1H
InChIKeyBLILQAHJJGXUDG-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride?
The IUPAC name of 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride (CID 72710310) is 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride?
The canonical SMILES for 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride is Cc1cc2nc(N)n(C)c2cc1C.Cl.
What is the InChIKey of 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride?
The InChIKey is BLILQAHJJGXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.ClH/c1-6-4-8-9(5-7(6)2)13(3)10(11)12-8;/h4-5H,1-3H3,(H2,11,12);1H.
What are the key properties of 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride?
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride has a molecular weight of 211.70 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethylbenzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 72710310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).