N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H15N5O2 — CID 18105049

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O2/c1-23-18(25)12-7-3-2-6-11(12)16(22-23)17(24)19-10-15-20-13-8-4-5-9-14(13)21-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyQWJZXOLNRBYERN-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.74
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 18105049) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID18105049
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O
InChIInChI=1S/C18H15N5O2/c1-23-18(25)12-7-3-2-6-11(12)16(22-23)17(24)19-10-15-20-13-8-4-5-9-14(13)21-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyQWJZXOLNRBYERN-UHFFFAOYSA-N
XLogP1.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51143941
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 5183848
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide
CID 166220607
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112791039
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]phthalazine-1-carboxamide
CID 3682104

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 18105049) is N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2c1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is QWJZXOLNRBYERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-23-18(25)12-7-3-2-6-11(12)16(22-23)17(24)19-10-15-20-13-8-4-5-9-14(13)21-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18105049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).