1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C17H18N4O3 — CID 155694044

IUPAC1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCCc1ccc(OC)c(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H18N4O3/c1-3-10-4-7-15(24-2)14(8-10)21-16(22)18-11-5-6-12-13(9-11)20-17(23)19-12/h4-9H,3H2,1-2H3,(H2,18,21,22)(H2,19,20,23)
InChIKeyHGQNQQSQZQWGLX-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.07
Rot. Bonds4

About 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 155694044) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID155694044
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCCc1ccc(OC)c(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H18N4O3/c1-3-10-4-7-15(24-2)14(8-10)21-16(22)18-11-5-6-12-13(9-11)20-17(23)19-12/h4-9H,3H2,1-2H3,(H2,18,21,22)(H2,19,20,23)
InChIKeyHGQNQQSQZQWGLX-UHFFFAOYSA-N
XLogP3.07
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9494628
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46631362
5-[(4-ethoxy-3-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 17058888
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-methoxy-5-methylbenzoate
CID 9000228
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619677

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 155694044) is 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is CCc1ccc(OC)c(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is HGQNQQSQZQWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-10-4-7-15(24-2)14(8-10)21-16(22)18-11-5-6-12-13(9-11)20-17(23)19-12/h4-9H,3H2,1-2H3,(H2,18,21,22)(H2,19,20,23).
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 155694044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).