(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

C13H17N3O2S — CID 7043417

IUPAC(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21
InChIInChI=1S/C13H17N3O2S/c1-9(12(14)17)19-13-15-10-5-3-4-6-11(10)16(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H2,14,17)/t9-/m0/s1
InChIKeyNHAXCGBIBVGJSL-VIFPVBQESA-N
MW279.37 g/mol
LogP1.65
Rot. Bonds6

About (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 7043417) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID7043417
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21
InChIInChI=1S/C13H17N3O2S/c1-9(12(14)17)19-13-15-10-5-3-4-6-11(10)16(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H2,14,17)/t9-/m0/s1
InChIKeyNHAXCGBIBVGJSL-VIFPVBQESA-N
XLogP1.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1-propylbenzimidazol-2-yl)sulfanylpropanamide
CID 40730768
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262745
(2R)-N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25352035
N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4882317
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262748
N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46618093
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25351950
1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
CID 60586302
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4875315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 7043417) is (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is COCCn1c(S[C@@H](C)C(N)=O)nc2ccccc21.
What is the InChIKey of (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is NHAXCGBIBVGJSL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(12(14)17)19-13-15-10-5-3-4-6-11(10)16(13)7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H2,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 279.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 7043417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).