3-benzyl-7-propoxy-1H-benzimidazol-2-one

C17H18N2O2 — CID 91806779

IUPAC3-benzyl-7-propoxy-1H-benzimidazol-2-one
SMILESCCCOc1cccc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-11-21-15-10-6-9-14-16(15)18-17(20)19(14)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyMRHVQWVHBNIQCC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.17
Rot. Bonds5

About 3-benzyl-7-propoxy-1H-benzimidazol-2-one

3-benzyl-7-propoxy-1H-benzimidazol-2-one (PubChem CID 91806779) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-benzyl-7-propoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-7-propoxy-1H-benzimidazol-2-one
PubChem CID91806779
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-benzyl-7-propoxy-1H-benzimidazol-2-one
SMILESCCCOc1cccc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-11-21-15-10-6-9-14-16(15)18-17(20)19(14)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyMRHVQWVHBNIQCC-UHFFFAOYSA-N
XLogP3.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724
3-[(1-methyl-2-oxo-3H-benzimidazol-4-yl)oxy]propanoic acid
CID 84699282
3-(2,2-dimethylbutyl)-7-propoxy-1H-benzimidazole-2-thione
CID 103462820
7-propoxy-3-(pyridazin-3-ylmethyl)-1H-benzimidazole-2-thione
CID 106896817
12-benzyl-4-ethoxy-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139796186
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117206645
1-[(4-bromophenyl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541216
7-(azetidin-3-yloxy)-3-benzyl-1H-benzimidazol-2-one;1-benzhydrylazetidin-3-ol;7-(1-benzhydrylazetidin-3-yl)oxy-3-benzyl-1H-benzimidazol-2-one;3-benzyl-7-hydroxy-1H-benzimidazol-2-one
CID 161256395
2-phenyl-3-propoxyphenol
CID 155695054
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-propoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-7-propoxy-1H-benzimidazol-2-one (CID 91806779) is 3-benzyl-7-propoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-7-propoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-7-propoxy-1H-benzimidazol-2-one is CCCOc1cccc2c1[nH]c(=O)n2Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-propoxy-1H-benzimidazol-2-one?
The InChIKey is MRHVQWVHBNIQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-11-21-15-10-6-9-14-16(15)18-17(20)19(14)12-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-7-propoxy-1H-benzimidazol-2-one?
3-benzyl-7-propoxy-1H-benzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-propoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 91806779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).