2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride

C10H15Cl2N3 — CID 19195701

IUPAC2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCc1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C10H13N3.2ClH/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11;;/h2-3,6H,4-5,11H2,1H3,(H,12,13);2*1H
InChIKeyNTGJUBKALHXJBB-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.22
Rot. Bonds2

About 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 19195701) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
PubChem CID19195701
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCc1ccc2nc(CCN)[nH]c2c1.Cl.Cl
InChIInChI=1S/C10H13N3.2ClH/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11;;/h2-3,6H,4-5,11H2,1H3,(H,12,13);2*1H
InChIKeyNTGJUBKALHXJBB-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-(2-aminoethyl)-N,N-dimethyl-3H-benzimidazol-5-amine
CID 82282888
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 170650587
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 104501898
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride (CID 19195701) is 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride is Cc1ccc2nc(CCN)[nH]c2c1.Cl.Cl.
What is the InChIKey of 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is NTGJUBKALHXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.2ClH/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11;;/h2-3,6H,4-5,11H2,1H3,(H,12,13);2*1H.
What are the key properties of 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride?
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 248.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 19195701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).