1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole

C19H14F3N5O — CID 53250173

IUPAC1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cc(C)ccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C19H14F3N5O/c1-11-7-8-23-14(9-11)18-24-13-10-12(19(20,21)22)3-4-15(13)27(18)16-5-6-17(28-2)26-25-16/h3-10H,1-2H3
InChIKeyYWMVIKBVJWCCRC-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.21
Rot. Bonds3

About 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole

1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53250173) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole
PubChem CID53250173
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3cc(C)ccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C19H14F3N5O/c1-11-7-8-23-14(9-11)18-24-13-10-12(19(20,21)22)3-4-15(13)27(18)16-5-6-17(28-2)26-25-16/h3-10H,1-2H3
InChIKeyYWMVIKBVJWCCRC-UHFFFAOYSA-N
XLogP4.21
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole (CID 53250173) is 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3cc(C)ccn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is YWMVIKBVJWCCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-11-7-8-23-14(9-11)18-24-13-10-12(19(20,21)22)3-4-15(13)27(18)16-5-6-17(28-2)26-25-16/h3-10H,1-2H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole?
1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 385.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-2-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53250173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).