2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

C20H16ClN3OS2 — CID 40720206

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16ClN3OS2/c21-14-8-9-15-16(11-14)23-20(22-15)27-12-18(25)24-19(17-7-4-10-26-17)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeyDKWUBUJGTLVQTQ-LJQANCHMSA-N
MW413.96 g/mol
LogP5.28
Rot. Bonds6

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 40720206) has the molecular formula C20H16ClN3OS2 and a molecular weight of 413.96 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID40720206
Molecular FormulaC20H16ClN3OS2
Molecular Weight413.96 g/mol
Exact Mass413.04
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16ClN3OS2/c21-14-8-9-15-16(11-14)23-20(22-15)27-12-18(25)24-19(17-7-4-10-26-17)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKeyDKWUBUJGTLVQTQ-LJQANCHMSA-N
XLogP5.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.96
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 41023729
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41036687
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8565341
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (CID 40720206) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is DKWUBUJGTLVQTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16ClN3OS2/c21-14-8-9-15-16(11-14)23-20(22-15)27-12-18(25)24-19(17-7-4-10-26-17)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,23)(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 413.96 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 40720206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).