2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride

C10H14Cl3N3 — CID 71308073

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN3.2ClH/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12;;/h2-3,6H,4-5,12H2,1H3;2*1H
InChIKeyOTTQXARQBMOMRM-UHFFFAOYSA-N
MW282.60 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride

2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 71308073) has the molecular formula C10H14Cl3N3 and a molecular weight of 282.60 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
PubChem CID71308073
Molecular FormulaC10H14Cl3N3
Molecular Weight282.60 g/mol
Exact Mass281.03
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN3.2ClH/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12;;/h2-3,6H,4-5,12H2,1H3;2*1H
InChIKeyOTTQXARQBMOMRM-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
[1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780786
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310357

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride (CID 71308073) is 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is OTTQXARQBMOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3.2ClH/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12;;/h2-3,6H,4-5,12H2,1H3;2*1H.
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride?
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 282.60 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 71308073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).