2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C21H25N3OS — CID 15354307

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3OS/c1-13(2)15-8-7-9-16(14(3)4)20(15)24-19(25)12-26-21-22-17-10-5-6-11-18(17)23-21/h5-11,13-14H,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyXNOPKCICOJPXRR-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.54
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 15354307) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID15354307
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3OS/c1-13(2)15-8-7-9-16(14(3)4)20(15)24-19(25)12-26-21-22-17-10-5-6-11-18(17)23-21/h5-11,13-14H,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyXNOPKCICOJPXRR-UHFFFAOYSA-N
XLogP5.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 416770
2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
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Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
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1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
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N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
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2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
N-[3-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 809513
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782
Leminoprazole
CID 65881
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
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CID 1264291

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 15354307) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is XNOPKCICOJPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-13(2)15-8-7-9-16(14(3)4)20(15)24-19(25)12-26-21-22-17-10-5-6-11-18(17)23-21/h5-11,13-14H,12H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 367.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 15354307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).