N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide

C27H23N3OS — CID 17033417

IUPACN-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCSc1cccc(NC(=O)Cn2c(Cc3cccc4ccccc34)nc3ccccc32)c1
InChIInChI=1S/C27H23N3OS/c1-32-22-12-7-11-21(17-22)28-27(31)18-30-25-15-5-4-14-24(25)29-26(30)16-20-10-6-9-19-8-2-3-13-23(19)20/h2-15,17H,16,18H2,1H3,(H,28,31)
InChIKeyPWIOMKYDAMFJMR-UHFFFAOYSA-N
MW437.57 g/mol
LogP6.14
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide

N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 17033417) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
PubChem CID17033417
Molecular FormulaC27H23N3OS
Molecular Weight437.57 g/mol
Exact Mass437.16
IUPAC NameN-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCSc1cccc(NC(=O)Cn2c(Cc3cccc4ccccc34)nc3ccccc32)c1
InChIInChI=1S/C27H23N3OS/c1-32-22-12-7-11-21(17-22)28-27(31)18-30-25-15-5-4-14-24(25)29-26(30)16-20-10-6-9-19-8-2-3-13-23(19)20/h2-15,17H,16,18H2,1H3,(H,28,31)
InChIKeyPWIOMKYDAMFJMR-UHFFFAOYSA-N
XLogP6.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17028829
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17031162
N-methyl-3-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129349
2-methyl-N-[3-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031456
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
N-[2-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030577
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (CID 17033417) is N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is CSc1cccc(NC(=O)Cn2c(Cc3cccc4ccccc34)nc3ccccc32)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is PWIOMKYDAMFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS/c1-32-22-12-7-11-21(17-22)28-27(31)18-30-25-15-5-4-14-24(25)29-26(30)16-20-10-6-9-19-8-2-3-13-23(19)20/h2-15,17H,16,18H2,1H3,(H,28,31).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).