5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

C20H14ClF3N4O — CID 11154330

IUPAC5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl
InChIInChI=1S/C20H14ClF3N4O/c1-11-8-16-17(10-14(11)21)28-19(27-16)26-15-6-3-7-25-18(15)29-13-5-2-4-12(9-13)20(22,23)24/h2-10H,1H3,(H2,26,27,28)
InChIKeyLFYABSWFYDNMHC-UHFFFAOYSA-N
MW418.81 g/mol
LogP6.47
Rot. Bonds4

About 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11154330) has the molecular formula C20H14ClF3N4O and a molecular weight of 418.81 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11154330
Molecular FormulaC20H14ClF3N4O
Molecular Weight418.81 g/mol
Exact Mass418.08
IUPAC Name5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESCc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl
InChIInChI=1S/C20H14ClF3N4O/c1-11-8-16-17(10-14(11)21)28-19(27-16)26-15-6-3-7-25-18(15)29-13-5-2-4-12(9-13)20(22,23)24/h2-10H,1H3,(H2,26,27,28)
InChIKeyLFYABSWFYDNMHC-UHFFFAOYSA-N
XLogP6.47
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11154330) is 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is Cc1cc2[nH]c(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is LFYABSWFYDNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O/c1-11-8-16-17(10-14(11)21)28-19(27-16)26-15-6-3-7-25-18(15)29-13-5-2-4-12(9-13)20(22,23)24/h2-10H,1H3,(H2,26,27,28).
What are the key properties of 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 418.81 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11154330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).