[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine

C18H20F3N3 — CID 151720185

IUPAC[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine
SMILESCCN1c2cc(C(F)(F)F)ccc2N(Cc2ccccc2)C1CN
InChIInChI=1S/C18H20F3N3/c1-2-23-16-10-14(18(19,20)21)8-9-15(16)24(17(23)11-22)12-13-6-4-3-5-7-13/h3-10,17H,2,11-12,22H2,1H3
InChIKeyRIKJEQJSGLTWKF-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.84
Rot. Bonds4

About [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine

[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine (PubChem CID 151720185) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine
PubChem CID151720185
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine
SMILESCCN1c2cc(C(F)(F)F)ccc2N(Cc2ccccc2)C1CN
InChIInChI=1S/C18H20F3N3/c1-2-23-16-10-14(18(19,20)21)8-9-15(16)24(17(23)11-22)12-13-6-4-3-5-7-13/h3-10,17H,2,11-12,22H2,1H3
InChIKeyRIKJEQJSGLTWKF-UHFFFAOYSA-N
XLogP3.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine?
The IUPAC name of [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine (CID 151720185) is [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine?
The canonical SMILES for [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine is CCN1c2cc(C(F)(F)F)ccc2N(Cc2ccccc2)C1CN.
What is the InChIKey of [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine?
The InChIKey is RIKJEQJSGLTWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c1-2-23-16-10-14(18(19,20)21)8-9-15(16)24(17(23)11-22)12-13-6-4-3-5-7-13/h3-10,17H,2,11-12,22H2,1H3.
What are the key properties of [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine?
[1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine has a molecular weight of 335.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-ethyl-5-(trifluoromethyl)-2H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 151720185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).