4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide

C23H21N3OS — CID 8001742

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21N3OS/c27-22(15-8-16-28-23-25-20-13-6-7-14-21(20)26-23)24-19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,24,27)(H,25,26)
InChIKeyDUNLQXAOBGSVBF-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.74
Rot. Bonds7

About 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide

4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide (PubChem CID 8001742) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide
PubChem CID8001742
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide
SMILESO=C(CCCSc1nc2ccccc2[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H21N3OS/c27-22(15-8-16-28-23-25-20-13-6-7-14-21(20)26-23)24-19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,24,27)(H,25,26)
InChIKeyDUNLQXAOBGSVBF-UHFFFAOYSA-N
XLogP5.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
CID 22633522
9-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylsulfanyl-3-pyridinyl)nonanamide
CID 22592209
6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
CID 46784599
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylbutanamide
CID 24982993
4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 2102486
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 23824405
7-(1H-benzimidazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridinyl]heptanamide
CID 22592154
N'-(1H-benzimidazol-2-ylsulfanyl)-N-phenylbutanediamide
CID 88644572

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide (CID 8001742) is 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide is O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide?
The InChIKey is DUNLQXAOBGSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-22(15-8-16-28-23-25-20-13-6-7-14-21(20)26-23)24-19-12-5-4-11-18(19)17-9-2-1-3-10-17/h1-7,9-14H,8,15-16H2,(H,24,27)(H,25,26).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide?
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide has a molecular weight of 387.51 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 8001742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).