4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide

C28H24FN7O2 — CID 177185075

IUPAC4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cnn(C)c2)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C28H24FN7O2/c1-30-27(37)20-8-5-16(11-21(20)29)17-6-9-23-22(12-17)32-26(18-14-31-33(2)15-18)36(23)19-7-10-24-25(13-19)35(4)28(38)34(24)3/h5-15H,1-4H3,(H,30,37)
InChIKeyHZEVYINGEUHZEX-UHFFFAOYSA-N
MW509.55 g/mol
LogP3.78
Rot. Bonds4

About 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide

4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide (PubChem CID 177185075) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
PubChem CID177185075
Molecular FormulaC28H24FN7O2
Molecular Weight509.55 g/mol
Exact Mass509.20
IUPAC Name4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cnn(C)c2)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C28H24FN7O2/c1-30-27(37)20-8-5-16(11-21(20)29)17-6-9-23-22(12-17)32-26(18-14-31-33(2)15-18)36(23)19-7-10-24-25(13-19)35(4)28(38)34(24)3/h5-15H,1-4H3,(H,30,37)
InChIKeyHZEVYINGEUHZEX-UHFFFAOYSA-N
XLogP3.78
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[2-(dimethylamino)ethyl]-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide
CID 177185109
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-[3-fluoro-4-(methylcarbamoyl)phenyl]-N-methyl-2-(3-methylimidazol-4-yl)benzimidazole-5-carboxamide
CID 177184650
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-6-(1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 177184522
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177185026
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-4-(4-fluorophenyl)-1,3-dimethylbenzimidazol-2-one
CID 177184737
2-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methylimidazol-4-yl)benzimidazol-5-yl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 177185068
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-(1-methylpyrazol-4-yl)benzimidazol-2-one
CID 177184912
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(6-methyl-1H-indol-3-yl)-6-(1-methylpyrazol-4-yl)benzimidazole-5-carbaldehyde
CID 177184507
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(6-methyl-1H-indol-3-yl)-6-(1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 177184636
5-[5-ethynyl-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177185008
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-4-(4-methoxyphenyl)-1,3-dimethylbenzimidazol-2-one
CID 177184799

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide (CID 177185075) is 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)nc(-c2cnn(C)c2)n3-c2ccc3c(c2)n(C)c(=O)n3C)cc1F.
What is the InChIKey of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is HZEVYINGEUHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-30-27(37)20-8-5-16(11-21(20)29)17-6-9-23-22(12-17)32-26(18-14-31-33(2)15-18)36(23)19-7-10-24-25(13-19)35(4)28(38)34(24)3/h5-15H,1-4H3,(H,30,37).
What are the key properties of 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide?
4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 509.55 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-methylpyrazol-4-yl)benzimidazol-5-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 177185075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).