(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide

C16H24N4O — CID 86699080

IUPAC(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)c1ccc2nc([C@@H](N)C(C)(C)C(N)=O)[nH]c2c1
InChIInChI=1S/C16H24N4O/c1-15(2,3)9-6-7-10-11(8-9)20-13(19-10)12(17)16(4,5)14(18)21/h6-8,12H,17H2,1-5H3,(H2,18,21)(H,19,20)/t12-/m1/s1
InChIKeyLRVZVLLBGQIXOZ-GFCCVEGCSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds3

About (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide

(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide (PubChem CID 86699080) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide
PubChem CID86699080
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)c1ccc2nc([C@@H](N)C(C)(C)C(N)=O)[nH]c2c1
InChIInChI=1S/C16H24N4O/c1-15(2,3)9-6-7-10-11(8-9)20-13(19-10)12(17)16(4,5)14(18)21/h6-8,12H,17H2,1-5H3,(H2,18,21)(H,19,20)/t12-/m1/s1
InChIKeyLRVZVLLBGQIXOZ-GFCCVEGCSA-N
XLogP2.37
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide (CID 86699080) is (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide is CC(C)(C)c1ccc2nc([C@@H](N)C(C)(C)C(N)=O)[nH]c2c1.
What is the InChIKey of (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide?
The InChIKey is LRVZVLLBGQIXOZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)9-6-7-10-11(8-9)20-13(19-10)12(17)16(4,5)14(18)21/h6-8,12H,17H2,1-5H3,(H2,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide?
(3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 86699080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).