N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide

C22H18F3N3O2S — CID 71685070

IUPACN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1c(C(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18F3N3O2S/c1-28-18-13-7-6-12-17(18)26-21(28)20(15-9-3-2-4-10-15)27-31(29,30)19-14-8-5-11-16(19)22(23,24)25/h2-14,20,27H,1H3
InChIKeyRZGNSFQJLPOKBS-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.66
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71685070) has the molecular formula C22H18F3N3O2S and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71685070
Molecular FormulaC22H18F3N3O2S
Molecular Weight445.47 g/mol
Exact Mass445.11
IUPAC NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCn1c(C(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H18F3N3O2S/c1-28-18-13-7-6-12-17(18)26-21(28)20(15-9-3-2-4-10-15)27-31(29,30)19-14-8-5-11-16(19)22(23,24)25/h2-14,20,27H,1H3
InChIKeyRZGNSFQJLPOKBS-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
CID 97352592
2-methyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-5-nitrobenzenesulfonamide
CID 52909030
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
(2S)-3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828998
(2S,3R)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 28828701
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 71685070) is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide is Cn1c(C(NS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RZGNSFQJLPOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2S/c1-28-18-13-7-6-12-17(18)26-21(28)20(15-9-3-2-4-10-15)27-31(29,30)19-14-8-5-11-16(19)22(23,24)25/h2-14,20,27H,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 445.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71685070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).