2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole

C19H12ClF3N4O — CID 53250020

IUPAC2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cn3)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C19H12ClF3N4O/c1-28-17-7-4-13(10-25-17)27-16-6-2-11(19(21,22)23)8-15(16)26-18(27)14-5-3-12(20)9-24-14/h2-10H,1H3
InChIKeyGVJRVNOYXRISFA-UHFFFAOYSA-N
MW404.78 g/mol
LogP5.16
Rot. Bonds3

About 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole

2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole (PubChem CID 53250020) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole
PubChem CID53250020
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(-n2c(-c3ccc(Cl)cn3)nc3cc(C(F)(F)F)ccc32)cn1
InChIInChI=1S/C19H12ClF3N4O/c1-28-17-7-4-13(10-25-17)27-16-6-2-11(19(21,22)23)8-15(16)26-18(27)14-5-3-12(20)9-24-14/h2-10H,1H3
InChIKeyGVJRVNOYXRISFA-UHFFFAOYSA-N
XLogP5.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole (CID 53250020) is 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole is COc1ccc(-n2c(-c3ccc(Cl)cn3)nc3cc(C(F)(F)F)ccc32)cn1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is GVJRVNOYXRISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c1-28-17-7-4-13(10-25-17)27-16-6-2-11(19(21,22)23)8-15(16)26-18(27)14-5-3-12(20)9-24-14/h2-10H,1H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole?
2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 404.78 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 53250020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).