2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide

C19H20ClN3O2 — CID 23008399

IUPAC2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C19H20ClN3O2/c1-19(2,3)18-22-13-6-4-5-7-15(13)23(18)11-17(25)21-14-9-8-12(20)10-16(14)24/h4-10,24H,11H2,1-3H3,(H,21,25)
InChIKeyXCRSBZCDUXBHGZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide

2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide (PubChem CID 23008399) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide
PubChem CID23008399
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1O
InChIInChI=1S/C19H20ClN3O2/c1-19(2,3)18-22-13-6-4-5-7-15(13)23(18)11-17(25)21-14-9-8-12(20)10-16(14)24/h4-10,24H,11H2,1-3H3,(H,21,25)
InChIKeyXCRSBZCDUXBHGZ-UHFFFAOYSA-N
XLogP4.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide 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

2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 23008463
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 26703232
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide (CID 23008399) is 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide is CC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1O.
What is the InChIKey of 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is XCRSBZCDUXBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(2,3)18-22-13-6-4-5-7-15(13)23(18)11-17(25)21-14-9-8-12(20)10-16(14)24/h4-10,24H,11H2,1-3H3,(H,21,25).
What are the key properties of 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide?
2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 357.84 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 23008399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).