N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine

C14H23N5 — CID 63693003

IUPACN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H23N5/c1-18(2)8-9-19(3)7-6-14-16-12-5-4-11(15)10-13(12)17-14/h4-5,10H,6-9,15H2,1-3H3,(H,16,17)
InChIKeyYRZMYLGDRIUNOK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.18
Rot. Bonds6

About N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63693003) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63693003
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H23N5/c1-18(2)8-9-19(3)7-6-14-16-12-5-4-11(15)10-13(12)17-14/h4-5,10H,6-9,15H2,1-3H3,(H,16,17)
InChIKeyYRZMYLGDRIUNOK-UHFFFAOYSA-N
XLogP1.18
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.18
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

N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991418
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CID 61443744
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]-3H-benzimidazol-5-amine
CID 61438668
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63693003) is N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is YRZMYLGDRIUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18(2)8-9-19(3)7-6-14-16-12-5-4-11(15)10-13(12)17-14/h4-5,10H,6-9,15H2,1-3H3,(H,16,17).
What are the key properties of N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63693003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).