3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C24H25N5O2 — CID 135698385

IUPAC3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H25N5O2/c1-16(30)29-12-10-28(11-13-29)9-8-17-6-7-21-22(14-17)26-23(25-21)19-15-18-4-2-3-5-20(18)27-24(19)31/h2-7,14-15H,8-13H2,1H3,(H,25,26)(H,27,31)
InChIKeyUIWCPEJPZDWBNZ-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.78
Rot. Bonds4

About 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one

3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 135698385) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID135698385
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H25N5O2/c1-16(30)29-12-10-28(11-13-29)9-8-17-6-7-21-22(14-17)26-23(25-21)19-15-18-4-2-3-5-20(18)27-24(19)31/h2-7,14-15H,8-13H2,1H3,(H,25,26)(H,27,31)
InChIKeyUIWCPEJPZDWBNZ-UHFFFAOYSA-N
XLogP2.78
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[2-(2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]ethyl]piperidine-4-carboxylic acid
CID 135698380
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
1-[4-[5-(1H-indol-2-yl)-1H-1,2,4-triazol-3-yl]piperazin-1-yl]ethanone
CID 167986450
2-[4-(2-methylphenyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 59784240
2-(methylsulfonylmethyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 102317477
3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980571
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
3-[5-[4-(piperidin-1-ylmethyl)benzoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980545
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 135698385) is 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one is CC(=O)N1CCN(CCc2ccc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is UIWCPEJPZDWBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(30)29-12-10-28(11-13-29)9-8-17-6-7-21-22(14-17)26-23(25-21)19-15-18-4-2-3-5-20(18)27-24(19)31/h2-7,14-15H,8-13H2,1H3,(H,25,26)(H,27,31).
What are the key properties of 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 415.50 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-acetylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135698385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).