N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide

C23H17N5O2 — CID 34328016

IUPACN-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H17N5O2/c29-22(26-28-15-24-19-12-6-7-13-20(19)28)21-17-10-4-5-11-18(17)23(30)27(25-21)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,29)
InChIKeyMKIKJOCMPYWMQH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.18
Rot. Bonds4

About N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide

N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide (PubChem CID 34328016) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
PubChem CID34328016
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H17N5O2/c29-22(26-28-15-24-19-12-6-7-13-20(19)28)21-17-10-4-5-11-18(17)23(30)27(25-21)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,29)
InChIKeyMKIKJOCMPYWMQH-UHFFFAOYSA-N
XLogP3.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 55375447
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
CID 32905584
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
CID 55951930
N-(benzimidazol-1-yl)-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18148926
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 78881235
N-(benzimidazol-1-yl)-2-benzylbenzamide
CID 27161774
benzimidazol-1-ylcarbamic acid
CID 21218422

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide (CID 34328016) is N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide is O=C(Nn1cnc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide?
The InChIKey is MKIKJOCMPYWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-22(26-28-15-24-19-12-6-7-13-20(19)28)21-17-10-4-5-11-18(17)23(30)27(25-21)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,26,29).
What are the key properties of N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide?
N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 34328016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).