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

C30H28N4O2 — CID 46382394

IUPAC1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H28N4O2/c1-2-36-28-15-9-7-13-26(28)33-30(35)31-23-19-16-22(17-20-23)18-21-29-32-25-12-6-8-14-27(25)34(29)24-10-4-3-5-11-24/h3-17,19-20H,2,18,21H2,1H3,(H2,31,33,35)
InChIKeyQMCPJIWXOYWBTM-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.85
Rot. Bonds8

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

1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (PubChem CID 46382394) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
PubChem CID46382394
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H28N4O2/c1-2-36-28-15-9-7-13-26(28)33-30(35)31-23-19-16-22(17-20-23)18-21-29-32-25-12-6-8-14-27(25)34(29)24-10-4-3-5-11-24/h3-17,19-20H,2,18,21H2,1H3,(H2,31,33,35)
InChIKeyQMCPJIWXOYWBTM-UHFFFAOYSA-N
XLogP6.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]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-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea (CID 46382394) is 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is CCOc1ccccc1NC(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
The InChIKey is QMCPJIWXOYWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-2-36-28-15-9-7-13-26(28)33-30(35)31-23-19-16-22(17-20-23)18-21-29-32-25-12-6-8-14-27(25)34(29)24-10-4-3-5-11-24/h3-17,19-20H,2,18,21H2,1H3,(H2,31,33,35).
What are the key properties of 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea?
1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea has a molecular weight of 476.58 g/mol, XLogP of 6.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea is sourced from PubChem (CID 46382394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).