5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one

C17H18N2O2 — CID 146019025

IUPAC5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O2/c1-12(2)19-16-10-14(8-9-15(16)18-17(19)20)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyJPSNQCIRAMMEFO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.49
Rot. Bonds4

About 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one

5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 146019025) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID146019025
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O2/c1-12(2)19-16-10-14(8-9-15(16)18-17(19)20)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyJPSNQCIRAMMEFO-UHFFFAOYSA-N
XLogP3.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-(3-phenylpropoxy)-1H-benzimidazol-2-one
CID 155557913
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
6-phenyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
CID 164822523
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one (CID 146019025) is 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is JPSNQCIRAMMEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(2)19-16-10-14(8-9-15(16)18-17(19)20)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,18,20).
What are the key properties of 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one?
5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 146019025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).