phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine

C15H12F3N3 — CID 81456700

IUPACphenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)10-6-7-11-12(8-10)21-14(20-11)13(19)9-4-2-1-3-5-9/h1-8,13H,19H2,(H,20,21)
InChIKeyQDHPOCXJBUTMKU-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.63
Rot. Bonds2

About phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine

phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine (PubChem CID 81456700) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Namephenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
PubChem CID81456700
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Namephenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
SMILESNC(c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)10-6-7-11-12(8-10)21-14(20-11)13(19)9-4-2-1-3-5-9/h1-8,13H,19H2,(H,20,21)
InChIKeyQDHPOCXJBUTMKU-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanamine
CID 54919596
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
CID 81455999
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
(3R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentane-1,2,3,4-tetrol
CID 162542970
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
(1S,2R,3R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butane-1,2,3,4-tetrol
CID 118129027
(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine
CID 118661076
2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456711
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167

Frequently Asked Questions

What is the IUPAC name of phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The IUPAC name of phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine (CID 81456700) is phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The canonical SMILES for phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine is NC(c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
The InChIKey is QDHPOCXJBUTMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)10-6-7-11-12(8-10)21-14(20-11)13(19)9-4-2-1-3-5-9/h1-8,13H,19H2,(H,20,21).
What are the key properties of phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine?
phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine has a molecular weight of 291.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 81456700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).