3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide

C16H24N4O — CID 106098514

IUPAC3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(C)c1nc2cc(N)ccc2n1C(C)(C)CC(N)=O
InChIInChI=1S/C16H24N4O/c1-15(2,3)14-19-11-8-10(17)6-7-12(11)20(14)16(4,5)9-13(18)21/h6-8H,9,17H2,1-5H3,(H2,18,21)
InChIKeyVOJFEZAJZSMWKC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.53
Rot. Bonds3

About 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide

3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide (PubChem CID 106098514) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
PubChem CID106098514
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(C)c1nc2cc(N)ccc2n1C(C)(C)CC(N)=O
InChIInChI=1S/C16H24N4O/c1-15(2,3)14-19-11-8-10(17)6-7-12(11)20(14)16(4,5)9-13(18)21/h6-8H,9,17H2,1-5H3,(H2,18,21)
InChIKeyVOJFEZAJZSMWKC-UHFFFAOYSA-N
XLogP2.53
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106098518
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097630
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
CID 62507372
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 62493100
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
3-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097692
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide?
The IUPAC name of 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide (CID 106098514) is 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide is CC(C)(C)c1nc2cc(N)ccc2n1C(C)(C)CC(N)=O.
What is the InChIKey of 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide?
The InChIKey is VOJFEZAJZSMWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)14-19-11-8-10(17)6-7-12(11)20(14)16(4,5)9-13(18)21/h6-8H,9,17H2,1-5H3,(H2,18,21).
What are the key properties of 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide?
3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106098514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).