(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide

C16H22N4O2S — CID 99805786

IUPAC(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)CSC
InChIInChI=1S/C16H22N4O2S/c1-4-14-17-12-7-5-6-8-13(12)20(14)9-15(21)18-19-16(22)11(2)10-23-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyAPYKFAXASRATPL-NSHDSACASA-N
MW334.45 g/mol
LogP1.75
Rot. Bonds6

About (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide

(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide (PubChem CID 99805786) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide
PubChem CID99805786
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide
SMILESCCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)CSC
InChIInChI=1S/C16H22N4O2S/c1-4-14-17-12-7-5-6-8-13(12)20(14)9-15(21)18-19-16(22)11(2)10-23-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyAPYKFAXASRATPL-NSHDSACASA-N
XLogP1.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
1-(3,5-dimethylphenyl)-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 40696855
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678
(2S,3S)-3-methyl-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]pentanoic acid
CID 119193827
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide?
The IUPAC name of (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide (CID 99805786) is (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide?
The canonical SMILES for (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide is CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)CSC.
What is the InChIKey of (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide?
The InChIKey is APYKFAXASRATPL-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-14-17-12-7-5-6-8-13(12)20(14)9-15(21)18-19-16(22)11(2)10-23-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide?
(2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide has a molecular weight of 334.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-2-methyl-3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 99805786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).