2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole

C18H16N4OS — CID 40510123

IUPAC2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C18H16N4OS/c1-11-8-9-14-15(10-11)20-18(19-14)24-12(2)16-21-22-17(23-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVMQVLDNZRFWDDH-LBPRGKRZSA-N
MW336.42 g/mol
LogP4.77
Rot. Bonds4

About 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 40510123) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID40510123
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1
InChIInChI=1S/C18H16N4OS/c1-11-8-9-14-15(10-11)20-18(19-14)24-12(2)16-21-22-17(23-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyVMQVLDNZRFWDDH-LBPRGKRZSA-N
XLogP4.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 40633215
2-[1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55390858
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 35163043
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42955584
2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46821309
1-phenyl-6-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135929669
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 40510123) is 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1.
What is the InChIKey of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is VMQVLDNZRFWDDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-11-8-9-14-15(10-11)20-18(19-14)24-12(2)16-21-22-17(23-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 336.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 40510123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).