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

C20H23N3O — CID 53131415

IUPACN-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-20(2,3)23-18(24)12-10-14-9-11-16-17(13-14)22-19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMVLDTUBMWKUNSA-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.08
Rot. Bonds4

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

N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 53131415) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
PubChem CID53131415
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-20(2,3)23-18(24)12-10-14-9-11-16-17(13-14)22-19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMVLDTUBMWKUNSA-UHFFFAOYSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide
CID 53131433
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
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
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
methylidene-[(2-phenyl-3H-benzimidazol-5-yl)methyl]-λ3-iodane
CID 143045069

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide (CID 53131415) is N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide is CC(C)(C)NC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is MVLDTUBMWKUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-20(2,3)23-18(24)12-10-14-9-11-16-17(13-14)22-19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide?
N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-phenyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 53131415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).