N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide

C23H21N3OS — CID 166200570

IUPACN-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide
SMILESO=C(CSCc1ccccc1)Nc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C23H21N3OS/c27-23(16-28-15-18-7-2-1-3-8-18)25-20-10-6-9-19(13-20)14-26-17-24-21-11-4-5-12-22(21)26/h1-13,17H,14-16H2,(H,25,27)
InChIKeyORGYNRWVEBDDPD-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.96
Rot. Bonds7

About N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide

N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide (PubChem CID 166200570) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide
PubChem CID166200570
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC NameN-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide
SMILESO=C(CSCc1ccccc1)Nc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C23H21N3OS/c27-23(16-28-15-18-7-2-1-3-8-18)25-20-10-6-9-19(13-20)14-26-17-24-21-11-4-5-12-22(21)26/h1-13,17H,14-16H2,(H,25,27)
InChIKeyORGYNRWVEBDDPD-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-phenylacetamide
CID 584914
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
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N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide
CID 166200782
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
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3-[3-(benzimidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 76908174
4-[(2-benzylsulfanylacetyl)amino]pyridine-2-carboxylic acid
CID 63650192
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
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2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide?
The IUPAC name of N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide (CID 166200570) is N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide.
What is the SMILES notation for N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide?
The canonical SMILES for N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide is O=C(CSCc1ccccc1)Nc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide?
The InChIKey is ORGYNRWVEBDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(16-28-15-18-7-2-1-3-8-18)25-20-10-6-9-19(13-20)14-26-17-24-21-11-4-5-12-22(21)26/h1-13,17H,14-16H2,(H,25,27).
What are the key properties of N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide?
N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide has a molecular weight of 387.51 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide is sourced from PubChem (CID 166200570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).