3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one

C15H14N2O3 — CID 117207490

IUPAC3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1cccc(O)c1
InChIInChI=1S/C15H14N2O3/c1-20-12-5-6-14-13(8-12)16-15(19)17(14)9-10-3-2-4-11(18)7-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyJDBPAQQOECSEKS-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.09
Rot. Bonds3

About 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one

3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one (PubChem CID 117207490) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
PubChem CID117207490
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1cccc(O)c1
InChIInChI=1S/C15H14N2O3/c1-20-12-5-6-14-13(8-12)16-15(19)17(14)9-10-3-2-4-11(18)7-10/h2-8,18H,9H2,1H3,(H,16,19)
InChIKeyJDBPAQQOECSEKS-UHFFFAOYSA-N
XLogP2.09
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
CID 46946073
2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83833187
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451501
3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
CID 141405992
methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 166099459

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one (CID 117207490) is 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2Cc1cccc(O)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is JDBPAQQOECSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-12-5-6-14-13(8-12)16-15(19)17(14)9-10-3-2-4-11(18)7-10/h2-8,18H,9H2,1H3,(H,16,19).
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117207490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).