2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide

C14H20N4O — CID 82067706

IUPAC2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C14H20N4O/c1-9(2)7-12-17-14-10(15)5-4-6-11(14)18(12)8-13(19)16-3/h4-6,9H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyNTDICNCBVICYSP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide

2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 82067706) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID82067706
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C14H20N4O/c1-9(2)7-12-17-14-10(15)5-4-6-11(14)18(12)8-13(19)16-3/h4-6,9H,7-8,15H2,1-3H3,(H,16,19)
InChIKeyNTDICNCBVICYSP-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067705
2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
CID 82067202
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide (CID 82067706) is 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(CC(C)C)nc2c(N)cccc21.
What is the InChIKey of 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is NTDICNCBVICYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)7-12-17-14-10(15)5-4-6-11(14)18(12)8-13(19)16-3/h4-6,9H,7-8,15H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide?
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.56, 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-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82067706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).