2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide

C23H18N4O2 — CID 5155441

IUPAC2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(C)nn21
InChIInChI=1S/C23H18N4O2/c1-14-16-7-3-4-8-17(16)22-25-19-13-15(11-12-20(19)27(22)26-14)24-23(28)18-9-5-6-10-21(18)29-2/h3-13H,1-2H3,(H,24,28)
InChIKeyLLLHEYMUUZZNBF-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.61
Rot. Bonds3

About 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide

2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide (PubChem CID 5155441) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
PubChem CID5155441
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(C)nn21
InChIInChI=1S/C23H18N4O2/c1-14-16-7-3-4-8-17(16)22-25-19-13-15(11-12-20(19)27(22)26-14)24-23(28)18-9-5-6-10-21(18)29-2/h3-13H,1-2H3,(H,24,28)
InChIKeyLLLHEYMUUZZNBF-UHFFFAOYSA-N
XLogP4.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 667164
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-2-methoxybenzamide
CID 141108120
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
2-methoxy-N-(3-methyl-2-pyridin-4-ylbenzimidazol-5-yl)benzamide
CID 169323335
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide
CID 3313976
2-methoxy-N-(3-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245110
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide?
The IUPAC name of 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide (CID 5155441) is 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(C)nn21.
What is the InChIKey of 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide?
The InChIKey is LLLHEYMUUZZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-16-7-3-4-8-17(16)22-25-19-13-15(11-12-20(19)27(22)26-14)24-23(28)18-9-5-6-10-21(18)29-2/h3-13H,1-2H3,(H,24,28).
What are the key properties of 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide?
2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide is sourced from PubChem (CID 5155441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).