2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide

C16H14ClN3OS — CID 3892285

IUPAC2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3OS/c17-12-6-7-14-13(8-12)19-16(22-10-15(18)21)20(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,21)
InChIKeyDCQCQZLLVHZPNV-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide (PubChem CID 3892285) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
PubChem CID3892285
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3OS/c17-12-6-7-14-13(8-12)19-16(22-10-15(18)21)20(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,21)
InChIKeyDCQCQZLLVHZPNV-UHFFFAOYSA-N
XLogP3.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
phenacyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503216
2-[[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16502325
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone
CID 3354677
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
2-[1-(4-amino-4-oxobutyl)-5-chlorobenzimidazol-2-yl]sulfanylacetic acid
CID 60863617
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503211
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
CID 3951001
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41168991
N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404
3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689137
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide (CID 3892285) is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide is NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is DCQCQZLLVHZPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-12-6-7-14-13(8-12)19-16(22-10-15(18)21)20(14)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,21).
What are the key properties of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide?
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 331.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).