3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one

C21H26N4O2 — CID 167859961

IUPAC3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCOc2ccc(-c3ccc4[nH]c(=O)n(C)c4c3)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-23-9-11-25(12-10-23)13-14-27-18-6-3-16(4-7-18)17-5-8-19-20(15-17)24(2)21(26)22-19/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyRZFDEJQSMUMDPO-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.16
Rot. Bonds5

About 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one

3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one (PubChem CID 167859961) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one
PubChem CID167859961
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one
SMILESCN1CCN(CCOc2ccc(-c3ccc4[nH]c(=O)n(C)c4c3)cc2)CC1
InChIInChI=1S/C21H26N4O2/c1-23-9-11-25(12-10-23)13-14-27-18-6-3-16(4-7-18)17-5-8-19-20(15-17)24(2)21(26)22-19/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyRZFDEJQSMUMDPO-UHFFFAOYSA-N
XLogP2.16
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pentyl-9H-pyrido[2,3-b]indole
CID 68641087
6-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indole
CID 90742823
5-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-9H-pyrido[2,3-b]indol-3-yl]pentan-1-amine
CID 66766203
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
6-bromo-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87736156
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-7-carboxamide
CID 22014900
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one (CID 167859961) is 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one is CN1CCN(CCOc2ccc(-c3ccc4[nH]c(=O)n(C)c4c3)cc2)CC1.
What is the InChIKey of 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one?
The InChIKey is RZFDEJQSMUMDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23-9-11-25(12-10-23)13-14-27-18-6-3-16(4-7-18)17-5-8-19-20(15-17)24(2)21(26)22-19/h3-8,15H,9-14H2,1-2H3,(H,22,26).
What are the key properties of 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one?
3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 167859961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).