2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

C23H20ClN3O2S — CID 40844394

IUPAC2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(C[S@@](=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H20ClN3O2S/c1-26(18-7-3-2-4-8-18)23(28)15-27-21-10-6-5-9-20(21)25-22(27)16-30(29)19-13-11-17(24)12-14-19/h2-14H,15-16H2,1H3/t30-/m1/s1
InChIKeyVMGBNMKSOZCBMK-SSEXGKCCSA-N
MW437.95 g/mol
LogP4.66
Rot. Bonds6

About 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 40844394) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID40844394
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(C[S@@](=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C23H20ClN3O2S/c1-26(18-7-3-2-4-8-18)23(28)15-27-21-10-6-5-9-20(21)25-22(27)16-30(29)19-13-11-17(24)12-14-19/h2-14H,15-16H2,1H3/t30-/m1/s1
InChIKeyVMGBNMKSOZCBMK-SSEXGKCCSA-N
XLogP4.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
2-chloro-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007545
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16997554
2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 16981517
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984537

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (CID 40844394) is 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(C[S@@](=O)c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is VMGBNMKSOZCBMK-SSEXGKCCSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-26(18-7-3-2-4-8-18)23(28)15-27-21-10-6-5-9-20(21)25-22(27)16-30(29)19-13-11-17(24)12-14-19/h2-14H,15-16H2,1H3/t30-/m1/s1.
What are the key properties of 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 437.95 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(R)-(4-chlorophenyl)sulfinyl]methyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 40844394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).