3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea

C16H16N4O — CID 108885872

IUPAC3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H16N4O/c1-2-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14-15(10-12)18-11-17-14/h3-11H,2H2,1H3,(H,17,18)(H,19,21)
InChIKeyFDYQQXYTGJUAPK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.62
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea

3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea (PubChem CID 108885872) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
PubChem CID108885872
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1
InChIInChI=1S/C16H16N4O/c1-2-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14-15(10-12)18-11-17-14/h3-11H,2H2,1H3,(H,17,18)(H,19,21)
InChIKeyFDYQQXYTGJUAPK-UHFFFAOYSA-N
XLogP3.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
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N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
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1-(3H-benzimidazol-5-yl)-3-dodecylurea
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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea (CID 108885872) is 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea is CCN(C(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea?
The InChIKey is FDYQQXYTGJUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14-15(10-12)18-11-17-14/h3-11H,2H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea?
3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea has a molecular weight of 280.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108885872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).