N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide

C24H19N5O2 — CID 110205209

IUPACN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N5O2/c30-21(15-29-24(31)18-11-5-4-10-17(18)14-25-29)28-22(16-8-2-1-3-9-16)23-26-19-12-6-7-13-20(19)27-23/h1-14,22H,15H2,(H,26,27)(H,28,30)/t22-/m0/s1
InChIKeyAEMJLDNOALGVQB-QFIPXVFZSA-N
MW409.45 g/mol
LogP3.18
Rot. Bonds5

About N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 110205209) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID110205209
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N5O2/c30-21(15-29-24(31)18-11-5-4-10-17(18)14-25-29)28-22(16-8-2-1-3-9-16)23-26-19-12-6-7-13-20(19)27-23/h1-14,22H,15H2,(H,26,27)(H,28,30)/t22-/m0/s1
InChIKeyAEMJLDNOALGVQB-QFIPXVFZSA-N
XLogP3.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 91822051
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372
1-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2224766
3-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]pentanoic acid
CID 53368322
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
CID 43889826
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369275
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 110205209) is N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is AEMJLDNOALGVQB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-21(15-29-24(31)18-11-5-4-10-17(18)14-25-29)28-22(16-8-2-1-3-9-16)23-26-19-12-6-7-13-20(19)27-23/h1-14,22H,15H2,(H,26,27)(H,28,30)/t22-/m0/s1.
What are the key properties of N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 110205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).