2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide

C15H22N4O — CID 82067572

IUPAC2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCC(CC)c1nc2c(N)cccc2n1CC(=O)NC
InChIInChI=1S/C15H22N4O/c1-4-10(5-2)15-18-14-11(16)7-6-8-12(14)19(15)9-13(20)17-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,20)
InChIKeyHNYRHPIHXRIJSZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide

2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide (PubChem CID 82067572) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
PubChem CID82067572
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCC(CC)c1nc2c(N)cccc2n1CC(=O)NC
InChIInChI=1S/C15H22N4O/c1-4-10(5-2)15-18-14-11(16)7-6-8-12(14)19(15)9-13(20)17-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,20)
InChIKeyHNYRHPIHXRIJSZ-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.27
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

2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide (CID 82067572) is 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide is CCC(CC)c1nc2c(N)cccc2n1CC(=O)NC.
What is the InChIKey of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is HNYRHPIHXRIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-10(5-2)15-18-14-11(16)7-6-8-12(14)19(15)9-13(20)17-3/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide?
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 274.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 82067572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).