2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide

C14H21N5O — CID 43588107

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H21N5O/c1-4-19(9-14(20)18(2)3)8-13-16-11-6-5-10(15)7-12(11)17-13/h5-7H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGPQXKYUESIBHJN-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.06
Rot. Bonds5

About 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide

2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 43588107) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
PubChem CID43588107
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H21N5O/c1-4-19(9-14(20)18(2)3)8-13-16-11-6-5-10(15)7-12(11)17-13/h5-7H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGPQXKYUESIBHJN-UHFFFAOYSA-N
XLogP1.06
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.06
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-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
2-[(4-amino-2-bromophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60792944
tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 163397661
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide (CID 43588107) is 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is GPQXKYUESIBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-19(9-14(20)18(2)3)8-13-16-11-6-5-10(15)7-12(11)17-13/h5-7H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 275.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43588107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).