N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide

C23H20ClN3OS — CID 24621619

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H20ClN3OS/c1-15(29-19-10-8-18(24)9-11-19)23(28)27-22(16-5-3-2-4-6-16)17-7-12-20-21(13-17)26-14-25-20/h2-15,22H,1H3,(H,25,26)(H,27,28)
InChIKeyGXLLAQJENXMIFR-UHFFFAOYSA-N
MW421.95 g/mol
LogP5.60
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 24621619) has the molecular formula C23H20ClN3OS and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID24621619
Molecular FormulaC23H20ClN3OS
Molecular Weight421.95 g/mol
Exact Mass421.10
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C23H20ClN3OS/c1-15(29-19-10-8-18(24)9-11-19)23(28)27-22(16-5-3-2-4-6-16)17-7-12-20-21(13-17)26-14-25-20/h2-15,22H,1H3,(H,25,26)(H,27,28)
InChIKeyGXLLAQJENXMIFR-UHFFFAOYSA-N
XLogP5.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24627824

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide (CID 24621619) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is GXLLAQJENXMIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3OS/c1-15(29-19-10-8-18(24)9-11-19)23(28)27-22(16-5-3-2-4-6-16)17-7-12-20-21(13-17)26-14-25-20/h2-15,22H,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 421.95 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).