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

C27H24N4O2S — CID 46347418

IUPACN-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H24N4O2S/c1-19-23(28-26(33-19)20-11-5-3-6-12-20)17-31-24-16-10-9-15-22(24)29-27(31)34-18-25(32)30(2)21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIKeyFCCKIPCCVLXOFI-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.80
Rot. Bonds7

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

N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 46347418) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID46347418
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC NameN-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H24N4O2S/c1-19-23(28-26(33-19)20-11-5-3-6-12-20)17-31-24-16-10-9-15-22(24)29-27(31)34-18-25(32)30(2)21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIKeyFCCKIPCCVLXOFI-UHFFFAOYSA-N
XLogP5.80
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide (CID 46347418) is N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide is Cc1oc(-c2ccccc2)nc1Cn1c(SCC(=O)N(C)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is FCCKIPCCVLXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c1-19-23(28-26(33-19)20-11-5-3-6-12-20)17-31-24-16-10-9-15-22(24)29-27(31)34-18-25(32)30(2)21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3.
What are the key properties of N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide?
N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 468.58 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 46347418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).