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

C18H23N3O2S — CID 90557087

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)C1CCCCC1
InChIInChI=1S/C18H23N3O2S/c22-24(23,16-8-2-1-3-9-16)20-15-7-4-6-14(12-15)17-13-19-18-10-5-11-21(17)18/h4,6-7,12-13,16,20H,1-3,5,8-11H2
InChIKeyYOOQRECEGJUQBY-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.57
Rot. Bonds4

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

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide (PubChem CID 90557087) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
PubChem CID90557087
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)C1CCCCC1
InChIInChI=1S/C18H23N3O2S/c22-24(23,16-8-2-1-3-9-16)20-15-7-4-6-14(12-15)17-13-19-18-10-5-11-21(17)18/h4,6-7,12-13,16,20H,1-3,5,8-11H2
InChIKeyYOOQRECEGJUQBY-UHFFFAOYSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzenesulfonamide
CID 90557039
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90557042
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 90557084
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 90557048
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 71797933
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90556814
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide (CID 90557087) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide is O=S(=O)(Nc1cccc(-c2cnc3n2CCC3)c1)C1CCCCC1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide?
The InChIKey is YOOQRECEGJUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-24(23,16-8-2-1-3-9-16)20-15-7-4-6-14(12-15)17-13-19-18-10-5-11-21(17)18/h4,6-7,12-13,16,20H,1-3,5,8-11H2.
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 90557087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).