4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide

C13H18N4O — CID 62508369

IUPAC4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
SMILESCCc1nc2cc(N)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-2-13-16-10-8-9(14)5-6-11(10)17(13)7-3-4-12(15)18/h5-6,8H,2-4,7,14H2,1H3,(H2,15,18)
InChIKeyFCUQJHZHQCULDY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds5

About 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide

4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide (PubChem CID 62508369) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound Name4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
PubChem CID62508369
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
SMILESCCc1nc2cc(N)ccc2n1CCCC(N)=O
InChIInChI=1S/C13H18N4O/c1-2-13-16-10-8-9(14)5-6-11(10)17(13)7-3-4-12(15)18/h5-6,8H,2-4,7,14H2,1H3,(H2,15,18)
InChIKeyFCUQJHZHQCULDY-UHFFFAOYSA-N
XLogP1.45
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.45
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

4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
CID 106254051
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
CID 43912232

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide?
The IUPAC name of 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide (CID 62508369) is 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide?
The canonical SMILES for 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide is CCc1nc2cc(N)ccc2n1CCCC(N)=O.
What is the InChIKey of 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide?
The InChIKey is FCUQJHZHQCULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-13-16-10-8-9(14)5-6-11(10)17(13)7-3-4-12(15)18/h5-6,8H,2-4,7,14H2,1H3,(H2,15,18).
What are the key properties of 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide?
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 62508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).