N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

C26H27N3O2S — CID 42966797

IUPACN-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCOCCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N3O2S/c1-28(25(20-11-5-3-6-12-20)21-13-7-4-8-14-21)24(30)19-32-26-27-22-15-9-10-16-23(22)29(26)17-18-31-2/h3-16,25H,17-19H2,1-2H3
InChIKeyJDHBQQGOLDNXMJ-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.02
Rot. Bonds9

About N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 42966797) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID42966797
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCOCCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H27N3O2S/c1-28(25(20-11-5-3-6-12-20)21-13-7-4-8-14-21)24(30)19-32-26-27-22-15-9-10-16-23(22)29(26)17-18-31-2/h3-16,25H,17-19H2,1-2H3
InChIKeyJDHBQQGOLDNXMJ-UHFFFAOYSA-N
XLogP5.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55399523
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
N-(2-acetylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 7043408
1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4883677
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 51139394

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (CID 42966797) is N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is COCCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is JDHBQQGOLDNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-28(25(20-11-5-3-6-12-20)21-13-7-4-8-14-21)24(30)19-32-26-27-22-15-9-10-16-23(22)29(26)17-18-31-2/h3-16,25H,17-19H2,1-2H3.
What are the key properties of N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 445.59 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 42966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).