N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine

C15H23N3 — CID 82336183

IUPACN,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCc1ccc2nc(C(C)N(CC)CC)[nH]c2c1
InChIInChI=1S/C15H23N3/c1-5-12-8-9-13-14(10-12)17-15(16-13)11(4)18(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyIFBSKJGIPJRRFR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.53
Rot. Bonds5

About N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine

N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 82336183) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID82336183
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
SMILESCCc1ccc2nc(C(C)N(CC)CC)[nH]c2c1
InChIInChI=1S/C15H23N3/c1-5-12-8-9-13-14(10-12)17-15(16-13)11(4)18(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyIFBSKJGIPJRRFR-UHFFFAOYSA-N
XLogP3.53
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82336142
N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
CID 82336177
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 82336181
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
N-[1-(6-ethyl-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336357
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine (CID 82336183) is N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine is CCc1ccc2nc(C(C)N(CC)CC)[nH]c2c1.
What is the InChIKey of N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is IFBSKJGIPJRRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-12-8-9-13-14(10-12)17-15(16-13)11(4)18(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine?
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82336183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).