N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide

C18H17Cl2N3OS — CID 60509545

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3OS/c1-10(17-22-14-5-3-4-6-15(14)23-17)21-18(24)11(2)25-16-9-12(19)7-8-13(16)20/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBRKUFZLHGTYNQZ-UHFFFAOYSA-N
MW394.33 g/mol
LogP5.23
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide (PubChem CID 60509545) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
PubChem CID60509545
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3OS/c1-10(17-22-14-5-3-4-6-15(14)23-17)21-18(24)11(2)25-16-9-12(19)7-8-13(16)20/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyBRKUFZLHGTYNQZ-UHFFFAOYSA-N
XLogP5.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 60620348
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 60509750
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide (CID 60509545) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The InChIKey is BRKUFZLHGTYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-10(17-22-14-5-3-4-6-15(14)23-17)21-18(24)11(2)25-16-9-12(19)7-8-13(16)20/h3-11H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide has a molecular weight of 394.33 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 60509545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).