N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide

C18H15N5O2 — CID 122705030

IUPACN-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-2-15(24)21-18-19-13-8-7-10(9-14(13)20-18)16-11-5-3-4-6-12(11)17(25)23-22-16/h3-9H,2H2,1H3,(H,23,25)(H2,19,20,21,24)
InChIKeyULDDIRGYLZLUOF-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.81
Rot. Bonds3

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

N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide (PubChem CID 122705030) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide
PubChem CID122705030
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-2-15(24)21-18-19-13-8-7-10(9-14(13)20-18)16-11-5-3-4-6-12(11)17(25)23-22-16/h3-9H,2H2,1H3,(H,23,25)(H2,19,20,21,24)
InChIKeyULDDIRGYLZLUOF-UHFFFAOYSA-N
XLogP2.81
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(7-chloro-4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]butanamide
CID 137355110
1-cyclopropyl-3-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]urea
CID 122705027
4-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-3H-benzimidazol-5-yl]-2H-phthalazin-1-one
CID 146383778
N-[6-(4-oxo-3H-isoquinolin-1-yl)-1H-benzimidazol-2-yl]propanamide
CID 157457215
2-methoxyethyl N-[6-(8-methyl-4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 137354795
2,2,2-trifluoroethyl N-[6-(7-fluoro-4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 122705080
4-[[4-fluoro-3-[2-(methylamino)-3H-benzimidazol-5-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 166667486
1-ethyl-3-[6-[2-fluoro-5-[(8-fluoro-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
CID 145426159
4-[2-[[ethoxy(hydroxy)methyl]amino]-6-methyl-1H-benzimidazol-5-yl]-2H-phthalazin-1-one
CID 146383760
ethyl-[6-(8-fluoro-4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]carbamic acid
CID 137354653
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536
4-[2-[[2-(dimethylamino)ethoxy-hydroxymethyl]amino]-3H-benzimidazol-5-yl]-6-fluoro-2H-phthalazin-1-one
CID 146383801

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide?
The IUPAC name of N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide (CID 122705030) is N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[nH]1.
What is the InChIKey of N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide?
The InChIKey is ULDDIRGYLZLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-2-15(24)21-18-19-13-8-7-10(9-14(13)20-18)16-11-5-3-4-6-12(11)17(25)23-22-16/h3-9H,2H2,1H3,(H,23,25)(H2,19,20,21,24).
What are the key properties of N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide?
N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide has a molecular weight of 333.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-oxo-3H-phthalazin-1-yl)-1H-benzimidazol-2-yl]propanamide is sourced from PubChem (CID 122705030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).