1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea

C24H18N4OS — CID 44525392

IUPAC1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H18N4OS/c29-24(26-20-11-12-30-15-20)25-19-8-4-6-17(14-19)16-5-3-7-18(13-16)23-27-21-9-1-2-10-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29)
InChIKeyJSUMEHDVUJAFRY-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.60
Rot. Bonds4

About 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea

1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea (PubChem CID 44525392) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
PubChem CID44525392
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccsc1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C24H18N4OS/c29-24(26-20-11-12-30-15-20)25-19-8-4-6-17(14-19)16-5-3-7-18(13-16)23-27-21-9-1-2-10-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29)
InChIKeyJSUMEHDVUJAFRY-UHFFFAOYSA-N
XLogP6.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea 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-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea (CID 44525392) is 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea is O=C(Nc1ccsc1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The InChIKey is JSUMEHDVUJAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(26-20-11-12-30-15-20)25-19-8-4-6-17(14-19)16-5-3-7-18(13-16)23-27-21-9-1-2-10-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29).
What are the key properties of 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea has a molecular weight of 410.50 g/mol, XLogP of 6.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 44525392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).