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

C24H21FN6O — CID 90764827

IUPAC2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(-c2ccc3c(nc(-c4ccc(F)cc4)n3C)c2N)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-14-12-31(13-27-14)20-11-9-18(28-24(20)32-3)17-8-10-19-22(21(17)26)29-23(30(19)2)15-4-6-16(25)7-5-15/h4-13H,26H2,1-3H3
InChIKeyXLPUTYUBOVDUGJ-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.53
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (PubChem CID 90764827) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
PubChem CID90764827
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1nc(-c2ccc3c(nc(-c4ccc(F)cc4)n3C)c2N)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21FN6O/c1-14-12-31(13-27-14)20-11-9-18(28-24(20)32-3)17-8-10-19-22(21(17)26)29-23(30(19)2)15-4-6-16(25)7-5-15/h4-13H,26H2,1-3H3
InChIKeyXLPUTYUBOVDUGJ-UHFFFAOYSA-N
XLogP4.53
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzimidazole deriv. 5
CID 5329405
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038511
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038512
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038513
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038868
1-(2-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038869
1-(2-Fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127040517
N-(2,6-dimethylphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 16126744
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
2-(2,6-difluorophenoxy)-9-ethyl-N-(2-methylphenyl)purin-8-amine
CID 24857372

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (CID 90764827) is 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is COc1nc(-c2ccc3c(nc(-c4ccc(F)cc4)n3C)c2N)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The InChIKey is XLPUTYUBOVDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14-12-31(13-27-14)20-11-9-18(28-24(20)32-3)17-8-10-19-22(21(17)26)29-23(30(19)2)15-4-6-16(25)7-5-15/h4-13H,26H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine has a molecular weight of 428.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 90764827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).