1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide

C18H26N4O2S — CID 167991524

IUPAC1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)Nc2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C18H26N4O2S/c1-15(2)11-22-13-18(19-14-22)25(23,24)20-17-7-5-6-16(10-17)12-21-8-3-4-9-21/h5-7,10,13-15,20H,3-4,8-9,11-12H2,1-2H3
InChIKeyXHTGKQHPQCWFHG-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.94
Rot. Bonds7

About 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide

1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 167991524) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
PubChem CID167991524
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)Nc2cccc(CN3CCCC3)c2)c1
InChIInChI=1S/C18H26N4O2S/c1-15(2)11-22-13-18(19-14-22)25(23,24)20-17-7-5-6-16(10-17)12-21-8-3-4-9-21/h5-7,10,13-15,20H,3-4,8-9,11-12H2,1-2H3
InChIKeyXHTGKQHPQCWFHG-UHFFFAOYSA-N
XLogP2.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
1-(2-methylpropyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazole-4-sulfonamide
CID 126788486
N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119973176
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119981388
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
N-(3-ethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179758
N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119975645
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide (CID 167991524) is 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide is CC(C)Cn1cnc(S(=O)(=O)Nc2cccc(CN3CCCC3)c2)c1.
What is the InChIKey of 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is XHTGKQHPQCWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-15(2)11-22-13-18(19-14-22)25(23,24)20-17-7-5-6-16(10-17)12-21-8-3-4-9-21/h5-7,10,13-15,20H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide?
1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 167991524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).