N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide

C22H19N3OS — CID 112791088

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H19N3OS/c26-22(23-14-21-24-19-8-4-5-9-20(19)25-21)17-12-10-16(11-13-17)15-27-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyZIVBPPSHPXRXMZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.79
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide (PubChem CID 112791088) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
PubChem CID112791088
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H19N3OS/c26-22(23-14-21-24-19-8-4-5-9-20(19)25-21)17-12-10-16(11-13-17)15-27-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,26)(H,24,25)
InChIKeyZIVBPPSHPXRXMZ-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
CID 129067460
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
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N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
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CID 78774579

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide (CID 112791088) is N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is ZIVBPPSHPXRXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c26-22(23-14-21-24-19-8-4-5-9-20(19)25-21)17-12-10-16(11-13-17)15-27-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,26)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 112791088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).