2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

C20H16F3N5O — CID 53250172

IUPAC2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCCc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(OC)nn2)nc1
InChIInChI=1S/C20H16F3N5O/c1-3-12-4-6-14(24-11-12)19-25-15-10-13(20(21,22)23)5-7-16(15)28(19)17-8-9-18(29-2)27-26-17/h4-11H,3H2,1-2H3
InChIKeyYTWDSVWZLDVZHS-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.47
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole

2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53250172) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID53250172
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCCc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(OC)nn2)nc1
InChIInChI=1S/C20H16F3N5O/c1-3-12-4-6-14(24-11-12)19-25-15-10-13(20(21,22)23)5-7-16(15)28(19)17-8-9-18(29-2)27-26-17/h4-11H,3H2,1-2H3
InChIKeyYTWDSVWZLDVZHS-UHFFFAOYSA-N
XLogP4.47
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 53250172) is 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is CCc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(OC)nn2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is YTWDSVWZLDVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-3-12-4-6-14(24-11-12)19-25-15-10-13(20(21,22)23)5-7-16(15)28(19)17-8-9-18(29-2)27-26-17/h4-11H,3H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole?
2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 399.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53250172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).