5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C21H26N4O4S — CID 60538576

IUPAC5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Oc1ccccc1CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C21H26N4O4S/c1-15(2)29-20-6-4-3-5-16(20)14-24-9-11-25(12-10-24)30(27,28)17-7-8-18-19(13-17)23-21(26)22-18/h3-8,13,15H,9-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyYJVJJKPPRGSQLE-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.15
Rot. Bonds6

About 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 60538576) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID60538576
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)Oc1ccccc1CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C21H26N4O4S/c1-15(2)29-20-6-4-3-5-16(20)14-24-9-11-25(12-10-24)30(27,28)17-7-8-18-19(13-17)23-21(26)22-18/h3-8,13,15H,9-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyYJVJJKPPRGSQLE-UHFFFAOYSA-N
XLogP2.15
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-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-(3-chloro-4-methoxyphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366340
1-(2-methylphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366345
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
1-butylsulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 110360184
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
5-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60505532
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]butanoic acid
CID 119934831
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 39626611
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 37498592
2-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 9452865

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 60538576) is 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is CC(C)Oc1ccccc1CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YJVJJKPPRGSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15(2)29-20-6-4-3-5-16(20)14-24-9-11-25(12-10-24)30(27,28)17-7-8-18-19(13-17)23-21(26)22-18/h3-8,13,15H,9-12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 430.53 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 60538576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).