3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine

C15H20F3N3 — CID 81455685

IUPAC3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine
SMILESCCC(CCN)CCc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H20F3N3/c1-2-10(7-8-19)3-6-14-20-12-5-4-11(15(16,17)18)9-13(12)21-14/h4-5,9-10H,2-3,6-8,19H2,1H3,(H,20,21)
InChIKeyMRQDGIWMDVMBRC-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.89
Rot. Bonds6

About 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine

3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine (PubChem CID 81455685) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine
PubChem CID81455685
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine
SMILESCCC(CCN)CCc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H20F3N3/c1-2-10(7-8-19)3-6-14-20-12-5-4-11(15(16,17)18)9-13(12)21-14/h4-5,9-10H,2-3,6-8,19H2,1H3,(H,20,21)
InChIKeyMRQDGIWMDVMBRC-UHFFFAOYSA-N
XLogP3.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine?
The IUPAC name of 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine (CID 81455685) is 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine?
The canonical SMILES for 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine is CCC(CCN)CCc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine?
The InChIKey is MRQDGIWMDVMBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-2-10(7-8-19)3-6-14-20-12-5-4-11(15(16,17)18)9-13(12)21-14/h4-5,9-10H,2-3,6-8,19H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine?
3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine has a molecular weight of 299.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 81455685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).