2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C23H25N5O2S — CID 84571511

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)s1
InChIInChI=1S/C23H25N5O2S/c1-23(2,3)16-11-9-15(10-12-16)21-24-17-7-5-6-8-18(17)28(21)13-19(29)25-22-27-26-20(31-22)14-30-4/h5-12H,13-14H2,1-4H3,(H,25,27,29)
InChIKeyLTQVRWXEDSKSNE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.64
Rot. Bonds6

About 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 84571511) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID84571511
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)s1
InChIInChI=1S/C23H25N5O2S/c1-23(2,3)16-11-9-15(10-12-16)21-24-17-7-5-6-8-18(17)28(21)13-19(29)25-22-27-26-20(31-22)14-30-4/h5-12H,13-14H2,1-4H3,(H,25,27,29)
InChIKeyLTQVRWXEDSKSNE-UHFFFAOYSA-N
XLogP4.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 84571513
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 84571305
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 84571341

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 84571511) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)s1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LTQVRWXEDSKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-23(2,3)16-11-9-15(10-12-16)21-24-17-7-5-6-8-18(17)28(21)13-19(29)25-22-27-26-20(31-22)14-30-4/h5-12H,13-14H2,1-4H3,(H,25,27,29).
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 84571511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).