2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide

C13H18N4O — CID 82067163

IUPAC2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nc2c(N)cccc21
InChIInChI=1S/C13H18N4O/c1-3-7-15-12(18)8-17-9(2)16-13-10(14)5-4-6-11(13)17/h4-6H,3,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBCOSIJBVOLDXIO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide

2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide (PubChem CID 82067163) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
PubChem CID82067163
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C)nc2c(N)cccc21
InChIInChI=1S/C13H18N4O/c1-3-7-15-12(18)8-17-9(2)16-13-10(14)5-4-6-11(13)17/h4-6H,3,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBCOSIJBVOLDXIO-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide 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-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
2-(4-amino-2-methylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 93215396
2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
CID 93215409
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide (CID 82067163) is 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(C)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is BCOSIJBVOLDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-7-15-12(18)8-17-9(2)16-13-10(14)5-4-6-11(13)17/h4-6H,3,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide?
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 82067163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).