2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide

C13H16N4O — CID 82067647

IUPAC2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C13H16N4O/c1-15-11(18)7-17-10-4-2-3-9(14)12(10)16-13(17)8-5-6-8/h2-4,8H,5-7,14H2,1H3,(H,15,18)
InChIKeyDBBHYDYLQDLLOM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide (PubChem CID 82067647) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
PubChem CID82067647
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C13H16N4O/c1-15-11(18)7-17-10-4-2-3-9(14)12(10)16-13(17)8-5-6-8/h2-4,8H,5-7,14H2,1H3,(H,15,18)
InChIKeyDBBHYDYLQDLLOM-UHFFFAOYSA-N
XLogP1.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide 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-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide (CID 82067647) is 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide is CNC(=O)Cn1c(C2CC2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is DBBHYDYLQDLLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-15-11(18)7-17-10-4-2-3-9(14)12(10)16-13(17)8-5-6-8/h2-4,8H,5-7,14H2,1H3,(H,15,18).
What are the key properties of 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide?
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 82067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).