4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

C20H15F3N4O — CID 11188275

IUPAC4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C20H15F3N4O/c1-12-5-2-8-15-17(12)27-19(25-15)26-16-9-4-10-24-18(16)28-14-7-3-6-13(11-14)20(21,22)23/h2-11H,1H3,(H2,25,26,27)
InChIKeyKKZDKKDBUQKDPM-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.82
Rot. Bonds4

About 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11188275) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11188275
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1cccc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C20H15F3N4O/c1-12-5-2-8-15-17(12)27-19(25-15)26-16-9-4-10-24-18(16)28-14-7-3-6-13(11-14)20(21,22)23/h2-11H,1H3,(H2,25,26,27)
InChIKeyKKZDKKDBUQKDPM-UHFFFAOYSA-N
XLogP5.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11188275) is 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is Cc1cccc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is KKZDKKDBUQKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-5-2-8-15-17(12)27-19(25-15)26-16-9-4-10-24-18(16)28-14-7-3-6-13(11-14)20(21,22)23/h2-11H,1H3,(H2,25,26,27).
What are the key properties of 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 384.36 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11188275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).