N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

C24H26N4O3S — CID 90557243

IUPACN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(19-8-12-21(13-9-19)32(30,31)27-14-2-1-3-15-27)26-20-10-6-18(7-11-20)22-17-25-23-5-4-16-28(22)23/h6-13,17H,1-5,14-16H2,(H,26,29)
InChIKeyRFFSVENLPAQACK-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.92
Rot. Bonds5

About N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 90557243) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID90557243
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N4O3S/c29-24(19-8-12-21(13-9-19)32(30,31)27-14-2-1-3-15-27)26-20-10-6-18(7-11-20)22-17-25-23-5-4-16-28(22)23/h6-13,17H,1-5,14-16H2,(H,26,29)
InChIKeyRFFSVENLPAQACK-UHFFFAOYSA-N
XLogP3.92
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide 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

4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557180
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 16552567
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
CID 90557184
2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
CID 90557186

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (CID 90557243) is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RFFSVENLPAQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(19-8-12-21(13-9-19)32(30,31)27-14-2-1-3-15-27)26-20-10-6-18(7-11-20)22-17-25-23-5-4-16-28(22)23/h6-13,17H,1-5,14-16H2,(H,26,29).
What are the key properties of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90557243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).