1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone

C17H18N2O2 — CID 57307065

IUPAC1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone
SMILESCC(=O)N1c2c(O)ccc(C)c2NC1Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-11-8-9-14(21)17-16(11)18-15(19(17)12(2)20)10-13-6-4-3-5-7-13/h3-9,15,18,21H,10H2,1-2H3
InChIKeyZLUGJDKRCCSEQC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.05
Rot. Bonds2

About 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone

1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone (PubChem CID 57307065) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone
PubChem CID57307065
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone
SMILESCC(=O)N1c2c(O)ccc(C)c2NC1Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-11-8-9-14(21)17-16(11)18-15(19(17)12(2)20)10-13-6-4-3-5-7-13/h3-9,15,18,21H,10H2,1-2H3
InChIKeyZLUGJDKRCCSEQC-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone (CID 57307065) is 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone is CC(=O)N1c2c(O)ccc(C)c2NC1Cc1ccccc1.
What is the InChIKey of 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone?
The InChIKey is ZLUGJDKRCCSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-8-9-14(21)17-16(11)18-15(19(17)12(2)20)10-13-6-4-3-5-7-13/h3-9,15,18,21H,10H2,1-2H3.
What are the key properties of 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone?
1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone has a molecular weight of 282.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-7-hydroxy-4-methyl-2,3-dihydrobenzimidazol-1-yl)ethanone is sourced from PubChem (CID 57307065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).