1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea

C17H18N4O2 — CID 2998393

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-21-14-10-6-4-8-12(14)18-16(21)20-17(22)19-13-9-5-7-11-15(13)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
InChIKeyWKOVXILFHOSNRH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.71
Rot. Bonds4

About 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea

1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 2998393) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID2998393
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C17H18N4O2/c1-3-21-14-10-6-4-8-12(14)18-16(21)20-17(22)19-13-9-5-7-11-15(13)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
InChIKeyWKOVXILFHOSNRH-UHFFFAOYSA-N
XLogP3.71
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea 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-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea (CID 2998393) is 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea is CCn1c(NC(=O)Nc2ccccc2OC)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is WKOVXILFHOSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-21-14-10-6-4-8-12(14)18-16(21)20-17(22)19-13-9-5-7-11-15(13)23-2/h4-11H,3H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea?
1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 310.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 2998393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).