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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Related Compounds

1-(2-benzyl-6-chloro-7-hydroxy-2,3-dihydrobenzimidazol-1-yl)ethanone
CID 57270653
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
1-acetyl-2-benzyl-4-hydroxy-2H-pyrrol-5-one
CID 134839700
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(2R,5S)-2,5-dibenzyl-3-hydroxyimidazolidin-4-one
CID 59883976
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
1-[(3S)-3-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 101377131
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178

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).