2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide

C20H17ClN4OS — CID 55772201

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
SMILESCC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN4OS/c1-12(27-20-24-17-11-13(21)8-9-18(17)25(20)2)19(26)23-16-7-3-6-15-14(16)5-4-10-22-15/h3-12H,1-2H3,(H,23,26)
InChIKeyUYJPOKDKJISOQF-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.89
Rot. Bonds4

About 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide (PubChem CID 55772201) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
PubChem CID55772201
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
SMILESCC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN4OS/c1-12(27-20-24-17-11-13(21)8-9-18(17)25(20)2)19(26)23-16-7-3-6-15-14(16)5-4-10-22-15/h3-12H,1-2H3,(H,23,26)
InChIKeyUYJPOKDKJISOQF-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 55772076
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 46526290
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039876
(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667482
(2R)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667483
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 55771812
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide
CID 46526447

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide (CID 55772201) is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide is CC(Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The InChIKey is UYJPOKDKJISOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-12(27-20-24-17-11-13(21)8-9-18(17)25(20)2)19(26)23-16-7-3-6-15-14(16)5-4-10-22-15/h3-12H,1-2H3,(H,23,26).
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide has a molecular weight of 396.90 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 55772201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).