N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H25N5OS — CID 41248748

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCSCC[C@H](NC(=O)Cc1c(C)nn(C)c1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5OS/c1-12-14(13(2)24(3)23-12)11-18(25)20-17(9-10-26-4)19-21-15-7-5-6-8-16(15)22-19/h5-8,17H,9-11H2,1-4H3,(H,20,25)(H,21,22)/t17-/m0/s1
InChIKeyVRSAJWMXMRTOAP-KRWDZBQOSA-N
MW371.51 g/mol
LogP3.07
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 41248748) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID41248748
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCSCC[C@H](NC(=O)Cc1c(C)nn(C)c1C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H25N5OS/c1-12-14(13(2)24(3)23-12)11-18(25)20-17(9-10-26-4)19-21-15-7-5-6-8-16(15)22-19/h5-8,17H,9-11H2,1-4H3,(H,20,25)(H,21,22)/t17-/m0/s1
InChIKeyVRSAJWMXMRTOAP-KRWDZBQOSA-N
XLogP3.07
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
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2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
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N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
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N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
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N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 41248748) is N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CSCC[C@H](NC(=O)Cc1c(C)nn(C)c1C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VRSAJWMXMRTOAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-12-14(13(2)24(3)23-12)11-18(25)20-17(9-10-26-4)19-21-15-7-5-6-8-16(15)22-19/h5-8,17H,9-11H2,1-4H3,(H,20,25)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 41248748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).