N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide

C18H25N3O — CID 72689962

IUPACN-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=CC(=O)Nc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C18H25N3O/c1-17(2,3)12-11-15(22)20-16-19-13-9-7-8-10-14(13)21(16)18(4,5)6/h7-12H,1-6H3,(H,19,20,22)
InChIKeyDXZVXLTYGAMULD-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.33
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide

N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide (PubChem CID 72689962) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
PubChem CID72689962
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=CC(=O)Nc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C18H25N3O/c1-17(2,3)12-11-15(22)20-16-19-13-9-7-8-10-14(13)21(16)18(4,5)6/h7-12H,1-6H3,(H,19,20,22)
InChIKeyDXZVXLTYGAMULD-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(1-tert-butylbenzimidazol-2-yl)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enamide
CID 56508938
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634
N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 51093633
N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
CID 47080720
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 155950252
N-(1-tert-butylbenzimidazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51093639
(2R)-N-(1-tert-butylbenzimidazol-2-yl)-2,3-dihydro-1,4-benzoxathiine-2-carboxamide
CID 97010182
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
N-(1-tert-butylbenzimidazol-2-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 97010185
N-(1-tert-butylbenzimidazol-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 71883752
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
N-(1-tert-butylbenzimidazol-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 56510222

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide (CID 72689962) is N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide is CC(C)(C)C=CC(=O)Nc1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide?
The InChIKey is DXZVXLTYGAMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-17(2,3)12-11-15(22)20-16-19-13-9-7-8-10-14(13)21(16)18(4,5)6/h7-12H,1-6H3,(H,19,20,22).
What are the key properties of N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide?
N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide has a molecular weight of 299.42 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 72689962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).