N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide

C21H21N5O4 — CID 71946737

IUPACN-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc2cnn(CC(=O)NCCn3cnc4ccccc43)c(=O)c2c1OC
InChIInChI=1S/C21H21N5O4/c1-29-17-8-7-14-11-24-26(21(28)19(14)20(17)30-2)12-18(27)22-9-10-25-13-23-15-5-3-4-6-16(15)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)
InChIKeyOPIKBVVRKPIEKG-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide

N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide (PubChem CID 71946737) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
PubChem CID71946737
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc2cnn(CC(=O)NCCn3cnc4ccccc43)c(=O)c2c1OC
InChIInChI=1S/C21H21N5O4/c1-29-17-8-7-14-11-24-26(21(28)19(14)20(17)30-2)12-18(27)22-9-10-25-13-23-15-5-3-4-6-16(15)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)
InChIKeyOPIKBVVRKPIEKG-UHFFFAOYSA-N
XLogP1.58
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
CID 71710263
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 71705829
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639274
methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
CID 45490728
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 71701010
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 91822051
N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 39354909
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide (CID 71946737) is N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide is COc1ccc2cnn(CC(=O)NCCn3cnc4ccccc43)c(=O)c2c1OC.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The InChIKey is OPIKBVVRKPIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-29-17-8-7-14-11-24-26(21(28)19(14)20(17)30-2)12-18(27)22-9-10-25-13-23-15-5-3-4-6-16(15)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 71946737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).