2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole

C12H15F3N4O2S — CID 131948620

IUPAC2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCN(C)S(=O)(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H15F3N4O2S/c1-18(2)22(20,21)16-7-11-17-9-6-8(12(13,14)15)4-5-10(9)19(11)3/h4-6,16H,7H2,1-3H3
InChIKeyRCBMFHUKUSWKNE-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.49
Rot. Bonds4

About 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole

2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole (PubChem CID 131948620) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
PubChem CID131948620
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC Name2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCN(C)S(=O)(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C12H15F3N4O2S/c1-18(2)22(20,21)16-7-11-17-9-6-8(12(13,14)15)4-5-10(9)19(11)3/h4-6,16H,7H2,1-3H3
InChIKeyRCBMFHUKUSWKNE-UHFFFAOYSA-N
XLogP1.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70788556
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
3,3-dimethyl-1-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]piperidin-4-amine
CID 120782241
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138808486
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
CID 99577205
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
3-[3-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]phenyl]propanoic acid
CID 122044144

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole (CID 131948620) is 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole is CN(C)S(=O)(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is RCBMFHUKUSWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c1-18(2)22(20,21)16-7-11-17-9-6-8(12(13,14)15)4-5-10(9)19(11)3/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole?
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 336.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 131948620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).