1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea

C14H16N6O2 — CID 16717969

IUPAC1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(OC)cc2[nH]1
InChIInChI=1S/C14H16N6O2/c1-3-15-14(21)19-13-17-10-7-9(22-2)8-11(12(10)18-13)20-6-4-5-16-20/h4-8H,3H2,1-2H3,(H3,15,17,18,19,21)
InChIKeyCMYOWLMVJBDAGK-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.90
Rot. Bonds4

About 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea

1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea (PubChem CID 16717969) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea
PubChem CID16717969
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(OC)cc2[nH]1
InChIInChI=1S/C14H16N6O2/c1-3-15-14(21)19-13-17-10-7-9(22-2)8-11(12(10)18-13)20-6-4-5-16-20/h4-8H,3H2,1-2H3,(H3,15,17,18,19,21)
InChIKeyCMYOWLMVJBDAGK-UHFFFAOYSA-N
XLogP1.90
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[4-pyrazol-1-yl-6-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-1H-benzimidazol-2-yl]urea
CID 11260071
1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 11236132
1-ethyl-3-[5-fluoro-6-[6-(1-hydroxyethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 118721910
1-[6-(2-aminopyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(6-ethoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 160723476
1-[6-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[6-[2-methyl-6-oxo-1-(pyridin-2-ylmethyl)-4-pyridinyl]-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-oxo-1-propan-2-yl-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 157156213
1-ethyl-3-[6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methoxy-1H-benzimidazol-2-yl]urea
CID 89325080
CID 89324885
CID 89324885
1-[(4-methoxyphenyl)methyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040896
1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 10318992
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 71655403
1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
CID 21366055
N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;methane
CID 157437647

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea (CID 16717969) is 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(OC)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is CMYOWLMVJBDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-3-15-14(21)19-13-17-10-7-9(22-2)8-11(12(10)18-13)20-6-4-5-16-20/h4-8H,3H2,1-2H3,(H3,15,17,18,19,21).
What are the key properties of 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea?
1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 300.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-methoxy-4-pyrazol-1-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 16717969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).