N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide

C23H27N5O3S — CID 66683001

IUPACN-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(S(N)(=O)=O)cc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5O3S/c1-26(20-11-13-27(14-12-20)15-18-5-3-2-4-6-18)23(29)28-16-22(25-17-28)19-7-9-21(10-8-19)32(24,30)31/h2-10,16-17,20H,11-15H2,1H3,(H2,24,30,31)
InChIKeyAHQSYENDAMZWDT-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.76
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide

N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide (PubChem CID 66683001) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
PubChem CID66683001
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(S(N)(=O)=O)cc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5O3S/c1-26(20-11-13-27(14-12-20)15-18-5-3-2-4-6-18)23(29)28-16-22(25-17-28)19-7-9-21(10-8-19)32(24,30)31/h2-10,16-17,20H,11-15H2,1H3,(H2,24,30,31)
InChIKeyAHQSYENDAMZWDT-UHFFFAOYSA-N
XLogP2.76
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
CID 159011987
N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-chlorophenyl)imidazole-1-carboxylate
CID 158648644
4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385080
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
4-[2-[[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]amino]ethyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385085
N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682485
bis(4-[3-(carbamoylamino)phenyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-methylimidazole-1-carboxamide);dihydrochloride
CID 157156754
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
CID 158992619

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide (CID 66683001) is N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(S(N)(=O)=O)cc2)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide?
The InChIKey is AHQSYENDAMZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-26(20-11-13-27(14-12-20)15-18-5-3-2-4-6-18)23(29)28-16-22(25-17-28)19-7-9-21(10-8-19)32(24,30)31/h2-10,16-17,20H,11-15H2,1H3,(H2,24,30,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 66683001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).