1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea

C24H24N4O2 — CID 50825327

IUPAC1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-30-20-14-12-19(13-15-20)26-24(29)25-18-10-7-17(8-11-18)9-16-23-27-21-5-3-4-6-22(21)28-23/h3-8,10-15H,2,9,16H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyOFWRKVRUDDTBJC-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.39
Rot. Bonds7

About 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea

1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea (PubChem CID 50825327) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
PubChem CID50825327
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-30-20-14-12-19(13-15-20)26-24(29)25-18-10-7-17(8-11-18)9-16-23-27-21-5-3-4-6-22(21)28-23/h3-8,10-15H,2,9,16H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyOFWRKVRUDDTBJC-UHFFFAOYSA-N
XLogP5.39
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)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

ethyl 2-[4-[[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]carbamoylamino]phenyl]acetate
CID 46382279
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]urea
CID 1454622
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(2-fluorophenyl)urea
CID 46382289
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 20972638
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 13196132
1-(4-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874274
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea (CID 50825327) is 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is OFWRKVRUDDTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-30-20-14-12-19(13-15-20)26-24(29)25-18-10-7-17(8-11-18)9-16-23-27-21-5-3-4-6-22(21)28-23/h3-8,10-15H,2,9,16H2,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea?
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 400.48 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 50825327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).