N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide

C28H26N4O2S — CID 46347392

IUPACN-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H26N4O2S/c1-20-24(29-27(34-20)22-13-7-4-8-14-22)18-32-25-16-10-9-15-23(25)30-28(32)35-19-26(33)31(2)17-21-11-5-3-6-12-21/h3-16H,17-19H2,1-2H3
InChIKeyBGBJTNPYSZCUOF-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.80
Rot. Bonds8

About N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide

N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide (PubChem CID 46347392) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide
PubChem CID46347392
Molecular FormulaC28H26N4O2S
Molecular Weight482.61 g/mol
Exact Mass482.18
IUPAC NameN-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C28H26N4O2S/c1-20-24(29-27(34-20)22-13-7-4-8-14-22)18-32-25-16-10-9-15-23(25)30-28(32)35-19-26(33)31(2)17-21-11-5-3-6-12-21/h3-16H,17-19H2,1-2H3
InChIKeyBGBJTNPYSZCUOF-UHFFFAOYSA-N
XLogP5.80
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 46347418
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
CID 24623437
2-[2-[5-[benzyl(methyl)amino]-5-oxopentyl]sulfanylbenzimidazol-1-yl]acetic acid
CID 69319311
N-benzyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2531105
N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46347470
N-methyl-N-[(4-methylphenyl)methyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 18100442
N-benzyl-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 47044774
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-benzyl-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 4819039
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide (CID 46347392) is N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide is Cc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is BGBJTNPYSZCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-20-24(29-27(34-20)22-13-7-4-8-14-22)18-32-25-16-10-9-15-23(25)30-28(32)35-19-26(33)31(2)17-21-11-5-3-6-12-21/h3-16H,17-19H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide?
N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 482.61 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 46347392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).