2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine

C24H20FN5O — CID 66679626

IUPAC2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20FN5O/c1-15-13-30(14-26-15)21-11-10-18(12-22(21)31-2)27-19-4-3-5-20-23(19)29-24(28-20)16-6-8-17(25)9-7-16/h3-14,27H,1-2H3,(H,28,29)
InChIKeyPCAZIKURHILOSM-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.62
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine

2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine (PubChem CID 66679626) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine
PubChem CID66679626
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3[nH]c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H20FN5O/c1-15-13-30(14-26-15)21-11-10-18(12-22(21)31-2)27-19-4-3-5-20-23(19)29-24(28-20)16-6-8-17(25)9-7-16/h3-14,27H,1-2H3,(H,28,29)
InChIKeyPCAZIKURHILOSM-UHFFFAOYSA-N
XLogP5.62
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine (CID 66679626) is 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine is COc1cc(Nc2cccc3[nH]c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine?
The InChIKey is PCAZIKURHILOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15-13-30(14-26-15)21-11-10-18(12-22(21)31-2)27-19-4-3-5-20-23(19)29-24(28-20)16-6-8-17(25)9-7-16/h3-14,27H,1-2H3,(H,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine?
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine has a molecular weight of 413.46 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-benzimidazol-4-amine is sourced from PubChem (CID 66679626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).