1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone

C23H23N3O2 — CID 52891192

IUPAC1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone
SMILESCc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16-12-19(17(2)25(16)13-18-8-4-3-5-9-18)22(28)14-26-21-11-7-6-10-20(21)24-23(26)15-27/h3-12,27H,13-15H2,1-2H3
InChIKeySALWGVMKDKVKHL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.88
Rot. Bonds6

About 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone

1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone (PubChem CID 52891192) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone
PubChem CID52891192
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone
SMILESCc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16-12-19(17(2)25(16)13-18-8-4-3-5-9-18)22(28)14-26-21-11-7-6-10-20(21)24-23(26)15-27/h3-12,27H,13-15H2,1-2H3
InChIKeySALWGVMKDKVKHL-UHFFFAOYSA-N
XLogP3.88
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
CID 56561782
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone
CID 4655636
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone
CID 4883136
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 9248909
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
tert-butyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 110885675
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 18097294

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone (CID 52891192) is 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone is Cc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone?
The InChIKey is SALWGVMKDKVKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-12-19(17(2)25(16)13-18-8-4-3-5-9-18)22(28)14-26-21-11-7-6-10-20(21)24-23(26)15-27/h3-12,27H,13-15H2,1-2H3.
What are the key properties of 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone?
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 52891192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).