5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine

C19H13F3N4 — CID 71730753

IUPAC5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cn1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-6-7-15-16(9-14)26-18(25-15)12-3-1-11(2-4-12)13-5-8-17(23)24-10-13/h1-10H,(H2,23,24)(H,25,26)
InChIKeyBZMFJQIBADNJSR-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.89
Rot. Bonds2

About 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine

5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine (PubChem CID 71730753) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine
PubChem CID71730753
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cn1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)14-6-7-15-16(9-14)26-18(25-15)12-3-1-11(2-4-12)13-5-8-17(23)24-10-13/h1-10H,(H2,23,24)(H,25,26)
InChIKeyBZMFJQIBADNJSR-UHFFFAOYSA-N
XLogP4.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine (CID 71730753) is 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cn1.
What is the InChIKey of 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine?
The InChIKey is BZMFJQIBADNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)14-6-7-15-16(9-14)26-18(25-15)12-3-1-11(2-4-12)13-5-8-17(23)24-10-13/h1-10H,(H2,23,24)(H,25,26).
What are the key properties of 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine?
5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine has a molecular weight of 354.34 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 71730753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).