2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

C18H18F3N3 — CID 83976141

IUPAC2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCn1c(C(CN)Cc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H18F3N3/c1-24-16-8-3-2-7-15(16)23-17(24)13(11-22)9-12-5-4-6-14(10-12)18(19,20)21/h2-8,10,13H,9,11,22H2,1H3
InChIKeyFYWJOJFATHYGCA-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.88
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 83976141) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID83976141
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCn1c(C(CN)Cc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H18F3N3/c1-24-16-8-3-2-7-15(16)23-17(24)13(11-22)9-12-5-4-6-14(10-12)18(19,20)21/h2-8,10,13H,9,11,22H2,1H3
InChIKeyFYWJOJFATHYGCA-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
2-(1-ethylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112539174
(2S)-2-(1-methylbenzimidazol-2-yl)-3-phenylpropane-1-thiol;2,2,2-trifluoroacetic acid
CID 11165380
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117084576
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 83976141) is 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is Cn1c(C(CN)Cc2cccc(C(F)(F)F)c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is FYWJOJFATHYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c1-24-16-8-3-2-7-15(16)23-17(24)13(11-22)9-12-5-4-6-14(10-12)18(19,20)21/h2-8,10,13H,9,11,22H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine?
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 333.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 83976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).