N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide

C19H21N3O — CID 110773431

IUPACN-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)22-17(23)12-13-9-10-15-16(11-13)21-18(20-15)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDCLHWJQJFBQJLP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.69
Rot. Bonds3

About N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide

N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110773431) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
PubChem CID110773431
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)22-17(23)12-13-9-10-15-16(11-13)21-18(20-15)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDCLHWJQJFBQJLP-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131415
N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131433
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
CID 143045069
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide (CID 110773431) is N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide is CC(C)(C)NC(=O)Cc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is DCLHWJQJFBQJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)22-17(23)12-13-9-10-15-16(11-13)21-18(20-15)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide?
N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).