N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide

C22H19N3O2S — CID 94186960

IUPACN-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
SMILESCc1nc2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-23-20-14-17(10-13-21(20)25(15)18-6-4-3-5-7-18)24-22(26)16-8-11-19(12-9-16)28(2)27/h3-14H,1-2H3,(H,24,26)/t28-/m1/s1
InChIKeyJUPIIDNJAYCVBA-MUUNZHRXSA-N
MW389.48 g/mol
LogP4.32
Rot. Bonds4

About N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide

N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide (PubChem CID 94186960) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
PubChem CID94186960
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
SMILESCc1nc2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-23-20-14-17(10-13-21(20)25(15)18-6-4-3-5-7-18)24-22(26)16-8-11-19(12-9-16)28(2)27/h3-14H,1-2H3,(H,24,26)/t28-/m1/s1
InChIKeyJUPIIDNJAYCVBA-MUUNZHRXSA-N
XLogP4.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
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N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
CID 97329327
4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide
CID 3567557
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
methyl N-methyl-N-[4-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]phenyl]carbamate
CID 60578647
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-phenylbenzimidazole-5-carboxamide
CID 38465374
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylbenzimidazole-5-carboxamide
CID 40718348
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878
N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
CID 56696508
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide?
The IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide (CID 94186960) is N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide.
What is the SMILES notation for N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide?
The canonical SMILES for N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide is Cc1nc2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide?
The InChIKey is JUPIIDNJAYCVBA-MUUNZHRXSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-23-20-14-17(10-13-21(20)25(15)18-6-4-3-5-7-18)24-22(26)16-8-11-19(12-9-16)28(2)27/h3-14H,1-2H3,(H,24,26)/t28-/m1/s1.
What are the key properties of N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide?
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide is sourced from PubChem (CID 94186960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).