N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide

C14H20N4O — CID 62507368

IUPACN-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C14H20N4O/c1-9(2)14-17-12-8-11(15)4-5-13(12)18(14)7-6-16-10(3)19/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyANIHNLDSLWNMFQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide

N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 62507368) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID62507368
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C14H20N4O/c1-9(2)14-17-12-8-11(15)4-5-13(12)18(14)7-6-16-10(3)19/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyANIHNLDSLWNMFQ-UHFFFAOYSA-N
XLogP1.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
N-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667677
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide
CID 106277886
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide (CID 62507368) is N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide is CC(=O)NCCn1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is ANIHNLDSLWNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)14-17-12-8-11(15)4-5-13(12)18(14)7-6-16-10(3)19/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide?
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 62507368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).