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

C17H18N4O2 — CID 118709938

IUPAC1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCCc1cccc(Oc2ccc3nc(NC(=O)NC)[nH]c3c2)c1
InChIInChI=1S/C17H18N4O2/c1-3-11-5-4-6-12(9-11)23-13-7-8-14-15(10-13)20-16(19-14)21-17(22)18-2/h4-10H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyONQZVNUEHWYDOG-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.67
Rot. Bonds4

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

1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (PubChem CID 118709938) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
PubChem CID118709938
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
SMILESCCc1cccc(Oc2ccc3nc(NC(=O)NC)[nH]c3c2)c1
InChIInChI=1S/C17H18N4O2/c1-3-11-5-4-6-12(9-11)23-13-7-8-14-15(10-13)20-16(19-14)21-17(22)18-2/h4-10H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyONQZVNUEHWYDOG-UHFFFAOYSA-N
XLogP3.67
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[6-(3-ethylphenoxy)-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-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea (CID 118709938) is 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is CCc1cccc(Oc2ccc3nc(NC(=O)NC)[nH]c3c2)c1.
What is the InChIKey of 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
The InChIKey is ONQZVNUEHWYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-11-5-4-6-12(9-11)23-13-7-8-14-15(10-13)20-16(19-14)21-17(22)18-2/h4-10H,3H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea?
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea has a molecular weight of 310.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea is sourced from PubChem (CID 118709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).