1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

C19H19N7O2 — CID 11211115

IUPAC1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C19H19N7O2/c1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-11H,3H2,1-2H3,(H3,20,22,23,24,28)
InChIKeyIPEJQZZCPSAGMO-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.26
Rot. Bonds4

About 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (PubChem CID 11211115) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
PubChem CID11211115
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C19H19N7O2/c1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-11H,3H2,1-2H3,(H3,20,22,23,24,28)
InChIKeyIPEJQZZCPSAGMO-UHFFFAOYSA-N
XLogP2.26
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea (CID 11211115) is 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-n3cccn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is IPEJQZZCPSAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-3-20-19(28)24-18-22-14-9-13(12-5-8-25(2)16(27)11-12)10-15(17(14)23-18)26-7-4-6-21-26/h4-11H,3H2,1-2H3,(H3,20,22,23,24,28).
What are the key properties of 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 377.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(1-methyl-2-oxo-4-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11211115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).