N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide

C21H25N3O — CID 53131433

IUPACN-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-4-21(2,3)24-19(25)13-11-15-10-12-17-18(14-15)23-20(22-17)16-8-6-5-7-9-16/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyOJYMMLRRRUAZIZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.47
Rot. Bonds6

About N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide

N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 53131433) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
PubChem CID53131433
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H25N3O/c1-4-21(2,3)24-19(25)13-11-15-10-12-17-18(14-15)23-20(22-17)16-8-6-5-7-9-16/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyOJYMMLRRRUAZIZ-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.47
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-tert-butyl-2-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 110773431
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
CID 143045069

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide (CID 53131433) is N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide is CCC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is OJYMMLRRRUAZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-21(2,3)24-19(25)13-11-15-10-12-17-18(14-15)23-20(22-17)16-8-6-5-7-9-16/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 335.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 53131433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).