1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea

C15H14N4O2S — CID 71655122

IUPAC1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C15H14N4O2S/c1-2-16-15(21)19-14-17-10-6-5-9(8-11(10)18-14)13(20)12-4-3-7-22-12/h3-8H,2H2,1H3,(H3,16,17,18,19,21)
InChIKeyYSQMWNBUNGYNRT-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.00
Rot. Bonds4

About 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea (PubChem CID 71655122) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea
PubChem CID71655122
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1
InChIInChI=1S/C15H14N4O2S/c1-2-16-15(21)19-14-17-10-6-5-9(8-11(10)18-14)13(20)12-4-3-7-22-12/h3-8H,2H2,1H3,(H3,16,17,18,19,21)
InChIKeyYSQMWNBUNGYNRT-UHFFFAOYSA-N
XLogP3.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea (CID 71655122) is 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2ccc(C(=O)c3cccs3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea?
The InChIKey is YSQMWNBUNGYNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-2-16-15(21)19-14-17-10-6-5-9(8-11(10)18-14)13(20)12-4-3-7-22-12/h3-8H,2H2,1H3,(H3,16,17,18,19,21).
What are the key properties of 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea has a molecular weight of 314.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 71655122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).