N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride

C11H15ClF3N3 — CID 142799251

IUPACN-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
SMILESCNCC1Nc2ccc(C(F)(F)F)cc2N1C.Cl
InChIInChI=1S/C11H14F3N3.ClH/c1-15-6-10-16-8-4-3-7(11(12,13)14)5-9(8)17(10)2;/h3-5,10,15-16H,6H2,1-2H3;1H
InChIKeyDCHSHTVVRWHYMY-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.53
Rot. Bonds2

About N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride

N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride (PubChem CID 142799251) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
PubChem CID142799251
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride
SMILESCNCC1Nc2ccc(C(F)(F)F)cc2N1C.Cl
InChIInChI=1S/C11H14F3N3.ClH/c1-15-6-10-16-8-4-3-7(11(12,13)14)5-9(8)17(10)2;/h3-5,10,15-16H,6H2,1-2H3;1H
InChIKeyDCHSHTVVRWHYMY-UHFFFAOYSA-N
XLogP2.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
N-methyl-1-[1-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroindol-2-yl]methanamine
CID 117202787
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977513
1-[3-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]ethanone
CID 15526300
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 63035988
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115316994
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
N-methyl-1-[(2S)-2-[5-(trifluoromethyl)-1H-indol-3-yl]cyclopropyl]methanamine
CID 142174206
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
5-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride (CID 142799251) is N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride is CNCC1Nc2ccc(C(F)(F)F)cc2N1C.Cl.
What is the InChIKey of N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride?
The InChIKey is DCHSHTVVRWHYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3.ClH/c1-15-6-10-16-8-4-3-7(11(12,13)14)5-9(8)17(10)2;/h3-5,10,15-16H,6H2,1-2H3;1H.
What are the key properties of N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride?
N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 142799251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).