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

C15H18N6O — CID 71655465

IUPAC1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccnn3CC)cc2[nH]1
InChIInChI=1S/C15H18N6O/c1-3-16-15(22)20-14-18-11-6-5-10(9-12(11)19-14)13-7-8-17-21(13)4-2/h5-9H,3-4H2,1-2H3,(H3,16,18,19,20,22)
InChIKeyLSNVDENJULKCNV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.59
Rot. Bonds4

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

1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 71655465) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
PubChem CID71655465
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccnn3CC)cc2[nH]1
InChIInChI=1S/C15H18N6O/c1-3-16-15(22)20-14-18-11-6-5-10(9-12(11)19-14)13-7-8-17-21(13)4-2/h5-9H,3-4H2,1-2H3,(H3,16,18,19,20,22)
InChIKeyLSNVDENJULKCNV-UHFFFAOYSA-N
XLogP2.59
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.59
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-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea (CID 71655465) is 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2ccc(-c3ccnn3CC)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is LSNVDENJULKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-16-15(22)20-14-18-11-6-5-10(9-12(11)19-14)13-7-8-17-21(13)4-2/h5-9H,3-4H2,1-2H3,(H3,16,18,19,20,22).
What are the key properties of 1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 298.35 g/mol, XLogP of 2.59, 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-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 71655465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).