N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C26H22N4O2S2 — CID 16538515

IUPACN-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCc3csc(N(C(C)=O)c4ccccc4)n3)nc3ccccc32)cc1
InChIInChI=1S/C26H22N4O2S2/c1-18(31)29(20-8-4-3-5-9-20)25-27-19(16-33-25)17-34-26-28-23-10-6-7-11-24(23)30(26)21-12-14-22(32-2)15-13-21/h3-16H,17H2,1-2H3
InChIKeyAXINIPOLJQOMPL-UHFFFAOYSA-N
MW486.62 g/mol
LogP6.47
Rot. Bonds7

About N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 16538515) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID16538515
Molecular FormulaC26H22N4O2S2
Molecular Weight486.62 g/mol
Exact Mass486.12
IUPAC NameN-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCc3csc(N(C(C)=O)c4ccccc4)n3)nc3ccccc32)cc1
InChIInChI=1S/C26H22N4O2S2/c1-18(31)29(20-8-4-3-5-9-20)25-27-19(16-33-25)17-34-26-28-23-10-6-7-11-24(23)30(26)21-12-14-22(32-2)15-13-21/h3-16H,17H2,1-2H3
InChIKeyAXINIPOLJQOMPL-UHFFFAOYSA-N
XLogP6.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410
N-[4-[[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 55517514
N-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825395
N-phenyl-N-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 35064397
N-[4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31456717
N-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4823781
N-[4-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 31275750
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 5220329
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617037
N-[4-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 40986377
1-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]benzimidazole
CID 4016691

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 16538515) is N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is COc1ccc(-n2c(SCc3csc(N(C(C)=O)c4ccccc4)n3)nc3ccccc32)cc1.
What is the InChIKey of N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is AXINIPOLJQOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c1-18(31)29(20-8-4-3-5-9-20)25-27-19(16-33-25)17-34-26-28-23-10-6-7-11-24(23)30(26)21-12-14-22(32-2)15-13-21/h3-16H,17H2,1-2H3.
What are the key properties of N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 486.62 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 16538515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).