N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide

C19H20FN3O2S — CID 176560035

IUPACN-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
SMILESCc1cccc(C(c2cnc[nH]2)c2cccc(NS(C)(=O)=O)c2F)c1C
InChIInChI=1S/C19H20FN3O2S/c1-12-6-4-7-14(13(12)2)18(17-10-21-11-22-17)15-8-5-9-16(19(15)20)23-26(3,24)25/h4-11,18,23H,1-3H3,(H,21,22)
InChIKeyNRSFCBFVWMOTFP-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.72
Rot. Bonds5

About N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide

N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide (PubChem CID 176560035) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
PubChem CID176560035
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
SMILESCc1cccc(C(c2cnc[nH]2)c2cccc(NS(C)(=O)=O)c2F)c1C
InChIInChI=1S/C19H20FN3O2S/c1-12-6-4-7-14(13(12)2)18(17-10-21-11-22-17)15-8-5-9-16(19(15)20)23-26(3,24)25/h4-11,18,23H,1-3H3,(H,21,22)
InChIKeyNRSFCBFVWMOTFP-UHFFFAOYSA-N
XLogP3.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bis(2-methylphenyl)methyl]-1H-imidazole
CID 13071795
N-[2-[2-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethoxy]ethoxy]ethyl]methanesulfonamide
CID 176559960
N-[2-[2-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methoxy]ethoxy]ethyl]methanesulfonamide
CID 172505571
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-1-(oxan-2-yl)methanesulfonamide
CID 172505832
5-[(1S)-1,2,2,2-tetradeuterio-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
CID 169437868
1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
CID 172505495
3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]aniline;methoxy(methyl)phosphane
CID 176560130
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-3-fluorophenyl]acetamide
CID 172505573
5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 177218655
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]adamantane-2-carboxamide
CID 172505517
1-[2-[5-(2,3-dimethylphenyl)-5-(1H-imidazol-5-yl)pentoxy]ethyl]-3-methylurea
CID 176560152

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide (CID 176560035) is N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide is Cc1cccc(C(c2cnc[nH]2)c2cccc(NS(C)(=O)=O)c2F)c1C.
What is the InChIKey of N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is NRSFCBFVWMOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-12-6-4-7-14(13(12)2)18(17-10-21-11-22-17)15-8-5-9-16(19(15)20)23-26(3,24)25/h4-11,18,23H,1-3H3,(H,21,22).
What are the key properties of N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide?
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 176560035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).