N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

C21H25N3O2 — CID 112787797

IUPACN-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N3O2/c1-14(25)20-23-17-7-5-6-8-18(17)24(20)13-19(26)22-16-11-9-15(10-12-16)21(2,3)4/h5-12,14,25H,13H2,1-4H3,(H,22,26)
InChIKeyDGKHKDPISVLTTP-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.03
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (PubChem CID 112787797) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
PubChem CID112787797
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H25N3O2/c1-14(25)20-23-17-7-5-6-8-18(17)24(20)13-19(26)22-16-11-9-15(10-12-16)21(2,3)4/h5-12,14,25H,13H2,1-4H3,(H,22,26)
InChIKeyDGKHKDPISVLTTP-UHFFFAOYSA-N
XLogP4.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-(2-phenylphenyl)acetamide
CID 112787842
N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41102600
4-chloro-N-[1-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029611

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (CID 112787797) is N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is CC(O)c1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The InChIKey is DGKHKDPISVLTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(25)20-23-17-7-5-6-8-18(17)24(20)13-19(26)22-16-11-9-15(10-12-16)21(2,3)4/h5-12,14,25H,13H2,1-4H3,(H,22,26).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 112787797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).