(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C20H17ClN4O2S — CID 97004891

IUPAC(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1
InChIInChI=1S/C20H17ClN4O2S/c1-12-10-17(24-27-12)23-19(26)18(13-6-4-3-5-7-13)28-20-22-15-11-14(21)8-9-16(15)25(20)2/h3-11,18H,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeyUJTKGMCEKLTQPG-GOSISDBHSA-N
MW412.90 g/mol
LogP5.00
Rot. Bonds5

About (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 97004891) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID97004891
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1
InChIInChI=1S/C20H17ClN4O2S/c1-12-10-17(24-27-12)23-19(26)18(13-6-4-3-5-7-13)28-20-22-15-11-14(21)8-9-16(15)25(20)2/h3-11,18H,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeyUJTKGMCEKLTQPG-GOSISDBHSA-N
XLogP5.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 27353118
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 37323378
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 42922308
2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 55448483
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51236228
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645490
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645734
(2R)-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 27347163
2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 55450046
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 41168281
N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 3998130
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 41168679

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 97004891) is (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is Cc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1.
What is the InChIKey of (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is UJTKGMCEKLTQPG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c1-12-10-17(24-27-12)23-19(26)18(13-6-4-3-5-7-13)28-20-22-15-11-14(21)8-9-16(15)25(20)2/h3-11,18H,1-2H3,(H,23,24,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
(2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 412.90 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 97004891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).