3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide

C16H22N4O2 — CID 51093634

IUPAC3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-11(21)17-10-9-14(22)19-15-18-12-7-5-6-8-13(12)20(15)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyUPAPJVWJNQDDBG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.26
Rot. Bonds4

About 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide

3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide (PubChem CID 51093634) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
PubChem CID51093634
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
SMILESCC(=O)NCCC(=O)Nc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-11(21)17-10-9-14(22)19-15-18-12-7-5-6-8-13(12)20(15)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyUPAPJVWJNQDDBG-UHFFFAOYSA-N
XLogP2.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
CID 72689962
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-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51093639
N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 51093633
N-(1-tert-butylbenzimidazol-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 71883752
N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
CID 47080720
3-acetamido-N-phenylpropanamide
CID 7946185
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 155950252
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
CID 82359757
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide (CID 51093634) is 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide is CC(=O)NCCC(=O)Nc1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide?
The InChIKey is UPAPJVWJNQDDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(21)17-10-9-14(22)19-15-18-12-7-5-6-8-13(12)20(15)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21)(H,18,19,22).
What are the key properties of 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide?
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 51093634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).