1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea

C16H16N4O3 — CID 118709926

IUPAC1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(Oc3ccccc3OC)cc2[nH]1
InChIInChI=1S/C16H16N4O3/c1-17-16(21)20-15-18-11-8-7-10(9-12(11)19-15)23-14-6-4-3-5-13(14)22-2/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyOVAKLPRXQNMYMD-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.12
Rot. Bonds4

About 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea

1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (PubChem CID 118709926) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
PubChem CID118709926
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2ccc(Oc3ccccc3OC)cc2[nH]1
InChIInChI=1S/C16H16N4O3/c1-17-16(21)20-15-18-11-8-7-10(9-12(11)19-15)23-14-6-4-3-5-13(14)22-2/h3-9H,1-2H3,(H3,17,18,19,20,21)
InChIKeyOVAKLPRXQNMYMD-UHFFFAOYSA-N
XLogP3.12
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (CID 118709926) is 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is CNC(=O)Nc1nc2ccc(Oc3ccccc3OC)cc2[nH]1.
What is the InChIKey of 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The InChIKey is OVAKLPRXQNMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-17-16(21)20-15-18-11-8-7-10(9-12(11)19-15)23-14-6-4-3-5-13(14)22-2/h3-9H,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea has a molecular weight of 312.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is sourced from PubChem (CID 118709926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).