1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C15H14FN5O — CID 21365985

IUPAC1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(F)cc2[nH]1
InChIInChI=1S/C15H14FN5O/c1-2-18-15(22)21-14-19-12-6-10(9-4-3-5-17-8-9)11(16)7-13(12)20-14/h3-8H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyBZHOCXNKZAJZJC-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.91
Rot. Bonds3

About 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 21365985) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID21365985
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)c(F)cc2[nH]1
InChIInChI=1S/C15H14FN5O/c1-2-18-15(22)21-14-19-12-6-10(9-4-3-5-17-8-9)11(16)7-13(12)20-14/h3-8H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyBZHOCXNKZAJZJC-UHFFFAOYSA-N
XLogP2.91
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 21365985) is 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)c(F)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is BZHOCXNKZAJZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-2-18-15(22)21-14-19-12-6-10(9-4-3-5-17-8-9)11(16)7-13(12)20-14/h3-8H,2H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 299.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-fluoro-5-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 21365985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).