2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine

C25H22FN5O — CID 67004837

IUPAC2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnn(C)c1
InChIInChI=1S/C25H22FN5O/c1-30-15-17(14-27-30)20-12-11-19(13-23(20)32-3)28-21-5-4-6-22-24(21)29-25(31(22)2)16-7-9-18(26)10-8-16/h4-15,28H,1-3H3
InChIKeyGFJLKRKVPWAIFS-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.53
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine

2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine (PubChem CID 67004837) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine
PubChem CID67004837
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnn(C)c1
InChIInChI=1S/C25H22FN5O/c1-30-15-17(14-27-30)20-12-11-19(13-23(20)32-3)28-21-5-4-6-22-24(21)29-25(31(22)2)16-7-9-18(26)10-8-16/h4-15,28H,1-3H3
InChIKeyGFJLKRKVPWAIFS-UHFFFAOYSA-N
XLogP5.53
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
3-Methoxy-4-{3-[4-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566450
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168296886
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzenamine
CID 18406880
2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzo[d]imidazole
CID 44563153
2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazole
CID 44563154
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-4-amine
CID 46865566
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine (CID 67004837) is 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine is COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-c1cnn(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine?
The InChIKey is GFJLKRKVPWAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-30-15-17(14-27-30)20-12-11-19(13-23(20)32-3)28-21-5-4-6-22-24(21)29-25(31(22)2)16-7-9-18(26)10-8-16/h4-15,28H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine?
2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine has a molecular weight of 427.48 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 67004837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).