4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

C15H12F3N3O — CID 123440751

IUPAC4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESCOc1ccnc(-c2cccc3[nH]c(CC(F)(F)F)nc23)c1
InChIInChI=1S/C15H12F3N3O/c1-22-9-5-6-19-12(7-9)10-3-2-4-11-14(10)21-13(20-11)8-15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyMQAYPOVPLQAHGW-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole

4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (PubChem CID 123440751) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
PubChem CID123440751
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
SMILESCOc1ccnc(-c2cccc3[nH]c(CC(F)(F)F)nc23)c1
InChIInChI=1S/C15H12F3N3O/c1-22-9-5-6-19-12(7-9)10-3-2-4-11-14(10)21-13(20-11)8-15(16,17)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyMQAYPOVPLQAHGW-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The IUPAC name of 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole (CID 123440751) is 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The canonical SMILES for 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is COc1ccnc(-c2cccc3[nH]c(CC(F)(F)F)nc23)c1.
What is the InChIKey of 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
The InChIKey is MQAYPOVPLQAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-9-5-6-19-12(7-9)10-3-2-4-11-14(10)21-13(20-11)8-15(16,17)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole?
4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole has a molecular weight of 307.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 123440751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).