1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea

C19H16N6O2 — CID 122705027

IUPAC1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea
SMILESO=C(Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1)NC1CC1
InChIInChI=1S/C19H16N6O2/c26-17-13-4-2-1-3-12(13)16(24-25-17)10-5-8-14-15(9-10)22-18(21-14)23-19(27)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,25,26)(H3,20,21,22,23,27)
InChIKeyYSYISPHXLMXSOI-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.75
Rot. Bonds3

About 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea

1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 122705027) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea
PubChem CID122705027
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea
SMILESO=C(Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1)NC1CC1
InChIInChI=1S/C19H16N6O2/c26-17-13-4-2-1-3-12(13)16(24-25-17)10-5-8-14-15(9-10)22-18(21-14)23-19(27)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,25,26)(H3,20,21,22,23,27)
InChIKeyYSYISPHXLMXSOI-UHFFFAOYSA-N
XLogP2.75
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea (CID 122705027) is 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea is O=C(Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is YSYISPHXLMXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c26-17-13-4-2-1-3-12(13)16(24-25-17)10-5-8-14-15(9-10)22-18(21-14)23-19(27)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,25,26)(H3,20,21,22,23,27).
What are the key properties of 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea?
1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 360.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 122705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).