2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C20H23N3OS — CID 55775708

IUPAC2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C20H23N3OS/c1-15(25-14-17-8-4-3-5-9-17)20(24)21-12-13-23-16(2)22-18-10-6-7-11-19(18)23/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyAHZCWFNNGQCXJJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.78
Rot. Bonds7

About 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 55775708) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID55775708
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C20H23N3OS/c1-15(25-14-17-8-4-3-5-9-17)20(24)21-12-13-23-16(2)22-18-10-6-7-11-19(18)23/h3-11,15H,12-14H2,1-2H3,(H,21,24)
InChIKeyAHZCWFNNGQCXJJ-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 55775708) is 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is Cc1nc2ccccc2n1CCNC(=O)C(C)SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is AHZCWFNNGQCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15(25-14-17-8-4-3-5-9-17)20(24)21-12-13-23-16(2)22-18-10-6-7-11-19(18)23/h3-11,15H,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 353.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 55775708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).