3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide

C20H19N5O2 — CID 4825768

IUPAC3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-13-22-16-9-5-6-10-17(16)25(13)12-11-21-19(26)18-14-7-3-4-8-15(14)20(27)24(2)23-18/h3-10H,11-12H2,1-2H3,(H,21,26)
InChIKeyOWHLXWOLAKDLLF-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide

3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 4825768) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
PubChem CID4825768
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-13-22-16-9-5-6-10-17(16)25(13)12-11-21-19(26)18-14-7-3-4-8-15(14)20(27)24(2)23-18/h3-10H,11-12H2,1-2H3,(H,21,26)
InChIKeyOWHLXWOLAKDLLF-UHFFFAOYSA-N
XLogP2.02
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-indole-3-carboxamide
CID 25393465
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 18105049
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
CID 81257871
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide (CID 4825768) is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide is Cc1nc2ccccc2n1CCNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is OWHLXWOLAKDLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-22-16-9-5-6-10-17(16)25(13)12-11-21-19(26)18-14-7-3-4-8-15(14)20(27)24(2)23-18/h3-10H,11-12H2,1-2H3,(H,21,26).
What are the key properties of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide?
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4825768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).