3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one

C14H13N3O2 — CID 82513986

IUPAC3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(N)cc1-n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-19-13-7-6-9(15)8-12(13)17-11-5-3-2-4-10(11)16-14(17)18/h2-8H,15H2,1H3,(H,16,18)
InChIKeyREQIDCVJYFNMAQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.91
Rot. Bonds2

About 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one

3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 82513986) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
PubChem CID82513986
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(N)cc1-n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-19-13-7-6-9(15)8-12(13)17-11-5-3-2-4-10(11)16-14(17)18/h2-8H,15H2,1H3,(H,16,18)
InChIKeyREQIDCVJYFNMAQ-UHFFFAOYSA-N
XLogP1.91
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 82514009
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
CID 19771137
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214
5-amino-3-(3-methylphenyl)-1H-benzimidazol-2-one
CID 110491624
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
CID 21275141
3-(2,5-dihydropyrrol-1-yl)-4-methoxyaniline
CID 79689324
5-amino-3-pyridin-4-yl-1H-benzimidazol-2-one
CID 110491548
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one (CID 82513986) is 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one is COc1ccc(N)cc1-n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is REQIDCVJYFNMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-13-7-6-9(15)8-12(13)17-11-5-3-2-4-10(11)16-14(17)18/h2-8H,15H2,1H3,(H,16,18).
What are the key properties of 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one?
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 82513986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).