N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide

C23H28FN5O3S — CID 59532090

IUPACN-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C23H28FN5O3S/c1-27(2)13-6-14-28(3)23(30)21-16-29(15-18-7-4-5-8-20(18)24)22(26-21)17-9-11-19(12-10-17)33(25,31)32/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,31,32)
InChIKeyVBWZTQRGDQSQHD-UHFFFAOYSA-N
MW473.57 g/mol
LogP2.41
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide

N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide (PubChem CID 59532090) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide
PubChem CID59532090
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC NameN-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C23H28FN5O3S/c1-27(2)13-6-14-28(3)23(30)21-16-29(15-18-7-4-5-8-20(18)24)22(26-21)17-9-11-19(12-10-17)33(25,31)32/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,31,32)
InChIKeyVBWZTQRGDQSQHD-UHFFFAOYSA-N
XLogP2.41
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide (CID 59532090) is N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide is CN(C)CCCN(C)C(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide?
The InChIKey is VBWZTQRGDQSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c1-27(2)13-6-14-28(3)23(30)21-16-29(15-18-7-4-5-8-20(18)24)22(26-21)17-9-11-19(12-10-17)33(25,31)32/h4-5,7-12,16H,6,13-15H2,1-3H3,(H2,25,31,32).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[(2-fluorophenyl)methyl]-N-methyl-2-(4-sulfamoylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 59532090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).