N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

C19H21N3O — CID 17028642

IUPACN-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O/c1-14(2)19-21-16-10-6-7-11-17(16)22(19)13-18(23)20-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyJPNZTAIUTYLUSY-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide

N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 17028642) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
PubChem CID17028642
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
SMILESCC(C)c1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O/c1-14(2)19-21-16-10-6-7-11-17(16)22(19)13-18(23)20-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyJPNZTAIUTYLUSY-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 112810656
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide (CID 17028642) is N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is CC(C)c1nc2ccccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is JPNZTAIUTYLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)19-21-16-10-6-7-11-17(16)22(19)13-18(23)20-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide?
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).