5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one

C28H26N6O3 — CID 177185026

IUPAC5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc(OC)cc(-c2ccc3c(c2)nc(-c2cncn2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C28H26N6O3/c1-31-16-29-15-26(31)27-30-22-12-17(18-10-20(36-4)14-21(11-18)37-5)6-8-23(22)34(27)19-7-9-24-25(13-19)33(3)28(35)32(24)2/h6-16H,1-5H3
InChIKeyHJKUHTGWWAHBKF-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.30
Rot. Bonds5

About 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one

5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 177185026) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
PubChem CID177185026
Molecular FormulaC28H26N6O3
Molecular Weight494.56 g/mol
Exact Mass494.21
IUPAC Name5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cc(OC)cc(-c2ccc3c(c2)nc(-c2cncn2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C28H26N6O3/c1-31-16-29-15-26(31)27-30-22-12-17(18-10-20(36-4)14-21(11-18)37-5)6-8-23(22)34(27)19-7-9-24-25(13-19)33(3)28(35)32(24)2/h6-16H,1-5H3
InChIKeyHJKUHTGWWAHBKF-UHFFFAOYSA-N
XLogP4.30
TPSA81.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[5-ethynyl-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177185008
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
N-benzyl-2-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methylimidazol-4-yl)benzimidazol-5-yl]triazol-1-yl]acetamide
CID 177185061
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
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
6-[5-(4-chloro-3-methoxyphenyl)-6-fluoro-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one
CID 177184874
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
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one
CID 177184658
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-(propan-2-ylamino)benzimidazol-2-one
CID 177184765
4-(tert-butylamino)-6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177184851
6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethyl-4-(2-trimethylsilylethynyl)benzimidazol-2-one
CID 177184937
4-(cyclopropylmethoxy)-6-[6-fluoro-2-(3-methylimidazol-4-yl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177184553

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one (CID 177185026) is 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one is COc1cc(OC)cc(-c2ccc3c(c2)nc(-c2cncn2C)n3-c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is HJKUHTGWWAHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O3/c1-31-16-29-15-26(31)27-30-22-12-17(18-10-20(36-4)14-21(11-18)37-5)6-8-23(22)34(27)19-7-9-24-25(13-19)33(3)28(35)32(24)2/h6-16H,1-5H3.
What are the key properties of 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one?
5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 494.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dimethoxyphenyl)-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 177185026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).