2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C15H14ClN3O2S — CID 41036687

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccco1
InChIInChI=1S/C15H14ClN3O2S/c1-9(13-3-2-6-21-13)17-14(20)8-22-15-18-11-5-4-10(16)7-12(11)19-15/h2-7,9H,8H2,1H3,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyMNYIZSSZOLXQGZ-VIFPVBQESA-N
MW335.82 g/mol
LogP3.78
Rot. Bonds5

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 41036687) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID41036687
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccco1
InChIInChI=1S/C15H14ClN3O2S/c1-9(13-3-2-6-21-13)17-14(20)8-22-15-18-11-5-4-10(16)7-12(11)19-15/h2-7,9H,8H2,1H3,(H,17,20)(H,18,19)/t9-/m0/s1
InChIKeyMNYIZSSZOLXQGZ-VIFPVBQESA-N
XLogP3.78
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.78
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-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42894046
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
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-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40720206
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
propan-2-yl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 19061687

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 41036687) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccco1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is MNYIZSSZOLXQGZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9(13-3-2-6-21-13)17-14(20)8-22-15-18-11-5-4-10(16)7-12(11)19-15/h2-7,9H,8H2,1H3,(H,17,20)(H,18,19)/t9-/m0/s1.
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 335.82 g/mol, XLogP of 3.78, 5 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-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 41036687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).