(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide

C18H19N3OS — CID 42270862

IUPAC(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C18H19N3OS/c1-11-7-6-10-14(12(11)2)19-17(22)13(3)23-18-20-15-8-4-5-9-16(15)21-18/h4-10,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyANGBFULXJBRRTD-CYBMUJFWSA-N
MW325.44 g/mol
LogP4.30
Rot. Bonds4

About (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide

(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 42270862) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID42270862
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C18H19N3OS/c1-11-7-6-10-14(12(11)2)19-17(22)13(3)23-18-20-15-8-4-5-9-16(15)21-18/h4-10,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyANGBFULXJBRRTD-CYBMUJFWSA-N
XLogP4.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)propanamide
CID 3344758
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23886514
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
(2R)-N-(2,3-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575734
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
N-(2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4216988
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)propanamide
CID 40665072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide (CID 42270862) is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is ANGBFULXJBRRTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-7-6-10-14(12(11)2)19-17(22)13(3)23-18-20-15-8-4-5-9-16(15)21-18/h4-10,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide?
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 325.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 42270862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).