1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea

C17H18N4O4 — CID 118709930

IUPAC1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(Oc3cc(OC)cc(OC)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4/c1-18-17(22)21-16-19-14-5-4-10(9-15(14)20-16)25-13-7-11(23-2)6-12(8-13)24-3/h4-9H,1-3H3,(H3,18,19,20,21,22)
InChIKeyRVKFVVWCZXKMEN-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.12
Rot. Bonds5

About 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea

1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (PubChem CID 118709930) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
PubChem CID118709930
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(Oc3cc(OC)cc(OC)c3)cc2[nH]1
InChIInChI=1S/C17H18N4O4/c1-18-17(22)21-16-19-14-5-4-10(9-15(14)20-16)25-13-7-11(23-2)6-12(8-13)24-3/h4-9H,1-3H3,(H3,18,19,20,21,22)
InChIKeyRVKFVVWCZXKMEN-UHFFFAOYSA-N
XLogP3.12
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (CID 118709930) is 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is CNC(=O)Nc1nc2ccc(Oc3cc(OC)cc(OC)c3)cc2[nH]1.
What is the InChIKey of 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The InChIKey is RVKFVVWCZXKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-18-17(22)21-16-19-14-5-4-10(9-15(14)20-16)25-13-7-11(23-2)6-12(8-13)24-3/h4-9H,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea has a molecular weight of 342.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is sourced from PubChem (CID 118709930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).