1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole

C19H15F4N5 — CID 22379935

IUPAC1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F4N5/c1-2-28-15-10-12(19(21,22)23)5-6-14(15)26-16(28)11-27-9-8-25-18(27)17-13(20)4-3-7-24-17/h3-10H,2,11H2,1H3
InChIKeyBJGRKEMMKQHDLE-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.52
Rot. Bonds4

About 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole

1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole (PubChem CID 22379935) has the molecular formula C19H15F4N5 and a molecular weight of 389.36 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
PubChem CID22379935
Molecular FormulaC19H15F4N5
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F4N5/c1-2-28-15-10-12(19(21,22)23)5-6-14(15)26-16(28)11-27-9-8-25-18(27)17-13(20)4-3-7-24-17/h3-10H,2,11H2,1H3
InChIKeyBJGRKEMMKQHDLE-UHFFFAOYSA-N
XLogP4.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.52
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-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole (CID 22379935) is 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole is CCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole?
The InChIKey is BJGRKEMMKQHDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5/c1-2-28-15-10-12(19(21,22)23)5-6-14(15)26-16(28)11-27-9-8-25-18(27)17-13(20)4-3-7-24-17/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole?
1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole has a molecular weight of 389.36 g/mol, XLogP of 4.52, 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-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 22379935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).