2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone

C24H18ClN3OS — CID 3354677

IUPAC2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18ClN3OS/c25-17-10-11-22-21(12-17)27-24(28(22)14-16-6-2-1-3-7-16)30-15-23(29)19-13-26-20-9-5-4-8-18(19)20/h1-13,26H,14-15H2
InChIKeyLLJPOTKORSFTJS-UHFFFAOYSA-N
MW431.95 g/mol
LogP6.19
Rot. Bonds6

About 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone (PubChem CID 3354677) has the molecular formula C24H18ClN3OS and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone
PubChem CID3354677
Molecular FormulaC24H18ClN3OS
Molecular Weight431.95 g/mol
Exact Mass431.09
IUPAC Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H18ClN3OS/c25-17-10-11-22-21(12-17)27-24(28(22)14-16-6-2-1-3-7-16)30-15-23(29)19-13-26-20-9-5-4-8-18(19)20/h1-13,26H,14-15H2
InChIKeyLLJPOTKORSFTJS-UHFFFAOYSA-N
XLogP6.19
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.95
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

3-benzyl-7-chloro-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2089345
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 4041404
1-(1H-indol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanone
CID 7224515
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
CID 3951001
phenacyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503216
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 4529500
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate
CID 16503211
N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404
2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 4619999
2-[[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16502325

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone (CID 3354677) is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone is O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The InChIKey is LLJPOTKORSFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3OS/c25-17-10-11-22-21(12-17)27-24(28(22)14-16-6-2-1-3-7-16)30-15-23(29)19-13-26-20-9-5-4-8-18(19)20/h1-13,26H,14-15H2.
What are the key properties of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone?
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(1H-indol-3-yl)ethanone has a molecular weight of 431.95 g/mol, XLogP of 6.19, 6 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)sulfanyl-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 3354677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).