1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole

C19H16F3N5 — CID 70931583

IUPAC1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2ccccc21
InChIInChI=1S/C19H16F3N5/c1-2-27-15-8-4-3-6-13(15)25-17(27)12-26-11-10-23-18(26)14-7-5-9-16(24-14)19(20,21)22/h3-11H,2,12H2,1H3
InChIKeyBBSKSCQAOWAEPN-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.38
Rot. Bonds4

About 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole

1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole (PubChem CID 70931583) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
PubChem CID70931583
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2ccccc21
InChIInChI=1S/C19H16F3N5/c1-2-27-15-8-4-3-6-13(15)25-17(27)12-26-11-10-23-18(26)14-7-5-9-16(24-14)19(20,21)22/h3-11H,2,12H2,1H3
InChIKeyBBSKSCQAOWAEPN-UHFFFAOYSA-N
XLogP4.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole (CID 70931583) is 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole is CCn1c(Cn2ccnc2-c2cccc(C(F)(F)F)n2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole?
The InChIKey is BBSKSCQAOWAEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-2-27-15-8-4-3-6-13(15)25-17(27)12-26-11-10-23-18(26)14-7-5-9-16(24-14)19(20,21)22/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole?
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole has a molecular weight of 371.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole is sourced from PubChem (CID 70931583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).