N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide

C19H20ClN3O — CID 17032773

IUPACN-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-19(2,3)22-17(24)12-23-16-11-7-6-10-15(16)21-18(23)13-8-4-5-9-14(13)20/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyLEODEFCQGQZOJE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds3

About N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide

N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 17032773) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
PubChem CID17032773
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-19(2,3)22-17(24)12-23-16-11-7-6-10-15(16)21-18(23)13-8-4-5-9-14(13)20/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyLEODEFCQGQZOJE-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-ethoxyacetamide
CID 86808879
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
N-butyl-2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]acetamide
CID 17033158
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-[2-(2,3-dichlorophenyl)benzimidazol-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 71886350
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029492
2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
CID 155737900

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide (CID 17032773) is N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide is CC(C)(C)NC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is LEODEFCQGQZOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-19(2,3)22-17(24)12-23-16-11-7-6-10-15(16)21-18(23)13-8-4-5-9-14(13)20/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide?
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 341.84 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).