2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide

C23H29N5O2 — CID 56517214

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C23H29N5O2/c1-3-27-20-10-6-7-11-21(20)28(23(27)30)17-22(29)24-16-18-8-4-5-9-19(18)26-14-12-25(2)13-15-26/h4-11H,3,12-17H2,1-2H3,(H,24,29)
InChIKeyIWKWJYJLAHRSCJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.89
Rot. Bonds6

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide (PubChem CID 56517214) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
PubChem CID56517214
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C23H29N5O2/c1-3-27-20-10-6-7-11-21(20)28(23(27)30)17-22(29)24-16-18-8-4-5-9-19(18)26-14-12-25(2)13-15-26/h4-11H,3,12-17H2,1-2H3,(H,24,29)
InChIKeyIWKWJYJLAHRSCJ-UHFFFAOYSA-N
XLogP1.89
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18141663
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 56517242
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56523285
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-[[2-(4-aminopiperidin-1-yl)phenyl]methyl]propanamide
CID 91462308
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide (CID 56517214) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide is CCn1c(=O)n(CC(=O)NCc2ccccc2N2CCN(C)CC2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide?
The InChIKey is IWKWJYJLAHRSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-27-20-10-6-7-11-21(20)28(23(27)30)17-22(29)24-16-18-8-4-5-9-19(18)26-14-12-25(2)13-15-26/h4-11H,3,12-17H2,1-2H3,(H,24,29).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 56517214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).