N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide

C18H19N3O2S — CID 97329327

IUPACN-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
SMILESCc1nc2cc(NC(=O)CC[S@@](C)=O)ccc2n1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13-19-16-12-14(20-18(22)10-11-24(2)23)8-9-17(16)21(13)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t24-/m1/s1
InChIKeyQQFIEOOFLLZGQQ-XMMPIXPASA-N
MW341.44 g/mol
LogP3.04
Rot. Bonds5

About N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide

N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide (PubChem CID 97329327) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
PubChem CID97329327
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
SMILESCc1nc2cc(NC(=O)CC[S@@](C)=O)ccc2n1-c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-13-19-16-12-14(20-18(22)10-11-24(2)23)8-9-17(16)21(13)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t24-/m1/s1
InChIKeyQQFIEOOFLLZGQQ-XMMPIXPASA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
N-(2-methyl-1-phenylbenzimidazol-5-yl)-2-(2-nitrophenoxy)acetamide
CID 8698014
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
CID 56696508
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4800585
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 3952613
4-[bis(2-methylpropyl)sulfamoyl]-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzamide
CID 3567557
[(2-ethyl-1-phenylbenzimidazol-5-yl)amino]methanesulfinic acid
CID 174466655

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide?
The IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide (CID 97329327) is N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide.
What is the SMILES notation for N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide?
The canonical SMILES for N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide is Cc1nc2cc(NC(=O)CC[S@@](C)=O)ccc2n1-c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide?
The InChIKey is QQFIEOOFLLZGQQ-XMMPIXPASA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-19-16-12-14(20-18(22)10-11-24(2)23)8-9-17(16)21(13)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,22)/t24-/m1/s1.
What are the key properties of N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide?
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.04, 5 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)-3-[(R)-methylsulfinyl]propanamide is sourced from PubChem (CID 97329327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).