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

C24H21FN6O — CID 66679674

IUPAC2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ncc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-15-13-31(14-27-15)20-12-26-22(11-21(20)32-3)28-18-5-4-6-19-23(18)29-24(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,26,28)
InChIKeyHZBCNIXRPWTDIM-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.02
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (PubChem CID 66679674) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
PubChem CID66679674
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ncc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-15-13-31(14-27-15)20-12-26-22(11-21(20)32-3)28-18-5-4-6-19-23(18)29-24(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,26,28)
InChIKeyHZBCNIXRPWTDIM-UHFFFAOYSA-N
XLogP5.02
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (CID 66679674) is 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ncc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The InChIKey is HZBCNIXRPWTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15-13-31(14-27-15)20-12-26-22(11-21(20)32-3)28-18-5-4-6-19-23(18)29-24(30(19)2)16-7-9-17(25)10-8-16/h4-14H,1-3H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine has a molecular weight of 428.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 66679674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).