1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine

C13H16F3N3 — CID 115501988

IUPAC1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCCC(CC)n1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3N3/c1-3-9(4-2)19-11-6-5-8(13(14,15)16)7-10(11)18-12(19)17/h5-7,9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyYIFQYDRRBJLERA-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.00
Rot. Bonds3

About 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine

1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115501988) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115501988
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCCC(CC)n1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3N3/c1-3-9(4-2)19-11-6-5-8(13(14,15)16)7-10(11)18-12(19)17/h5-7,9H,3-4H2,1-2H3,(H2,17,18)
InChIKeyYIFQYDRRBJLERA-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine (CID 115501988) is 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine is CCC(CC)n1c(N)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is YIFQYDRRBJLERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-3-9(4-2)19-11-6-5-8(13(14,15)16)7-10(11)18-12(19)17/h5-7,9H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine?
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 271.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115501988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).