2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

C24H20F2N6O — CID 66679431

IUPAC2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)16-8-7-15(25)11-17(16)26/h4-13H,1-3H3,(H,28,29)
InChIKeyRBYJRERTDQENRR-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.16
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (PubChem CID 66679431) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
PubChem CID66679431
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)16-8-7-15(25)11-17(16)26/h4-13H,1-3H3,(H,28,29)
InChIKeyRBYJRERTDQENRR-UHFFFAOYSA-N
XLogP5.16
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (CID 66679431) is 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is COc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The InChIKey is RBYJRERTDQENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-14-12-32(13-27-14)20-9-10-21(29-24(20)33-3)28-18-5-4-6-19-22(18)30-23(31(19)2)16-8-7-15(25)11-17(16)26/h4-13H,1-3H3,(H,28,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine has a molecular weight of 446.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 66679431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).