2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide

C13H19N5O — CID 103101302

IUPAC2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)CC(N)=O
InChIInChI=1S/C13H19N5O/c1-2-18(8-12(15)19)6-5-13-16-10-4-3-9(14)7-11(10)17-13/h3-4,7H,2,5-6,8,14H2,1H3,(H2,15,19)(H,16,17)
InChIKeyNZQLZJWMNSKZNH-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.49
Rot. Bonds6

About 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide

2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide (PubChem CID 103101302) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
PubChem CID103101302
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
SMILESCCN(CCc1nc2ccc(N)cc2[nH]1)CC(N)=O
InChIInChI=1S/C13H19N5O/c1-2-18(8-12(15)19)6-5-13-16-10-4-3-9(14)7-11(10)17-13/h3-4,7H,2,5-6,8,14H2,1H3,(H2,15,19)(H,16,17)
InChIKeyNZQLZJWMNSKZNH-UHFFFAOYSA-N
XLogP0.49
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 107397319
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43588107
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
CID 114231833
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693003
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[3-(diethylamino)propyl]-3H-benzimidazole-5-carboxylic acid
CID 100586689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide?
The IUPAC name of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide (CID 103101302) is 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide.
What is the SMILES notation for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide?
The canonical SMILES for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide is CCN(CCc1nc2ccc(N)cc2[nH]1)CC(N)=O.
What is the InChIKey of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide?
The InChIKey is NZQLZJWMNSKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-18(8-12(15)19)6-5-13-16-10-4-3-9(14)7-11(10)17-13/h3-4,7H,2,5-6,8,14H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide?
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide has a molecular weight of 261.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide is sourced from PubChem (CID 103101302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).