N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine

C16H26N4 — CID 82337057

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H26N4/c1-3-20(4-2)13-7-11-17-12-10-16-18-14-8-5-6-9-15(14)19-16/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3,(H,18,19)
InChIKeyRJNMJYQHDAHTSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.43
Rot. Bonds9

About N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine

N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 82337057) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID82337057
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H26N4/c1-3-20(4-2)13-7-11-17-12-10-16-18-14-8-5-6-9-15(14)19-16/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3,(H,18,19)
InChIKeyRJNMJYQHDAHTSA-UHFFFAOYSA-N
XLogP2.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
2-docosyl-1H-benzimidazole
CID 141189761
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine (CID 82337057) is N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is RJNMJYQHDAHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-20(4-2)13-7-11-17-12-10-16-18-14-8-5-6-9-15(14)19-16/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine?
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82337057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).