4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline

C20H26N4 — CID 124824368

IUPAC4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H26N4/c1-3-24(4-2)17-11-9-16(10-12-17)15-21-14-13-20-22-18-7-5-6-8-19(18)23-20/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyIJJCZLKFAGLKKJ-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.74
Rot. Bonds8

About 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline

4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline (PubChem CID 124824368) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
PubChem CID124824368
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CNCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H26N4/c1-3-24(4-2)17-11-9-16(10-12-17)15-21-14-13-20-22-18-7-5-6-8-19(18)23-20/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyIJJCZLKFAGLKKJ-UHFFFAOYSA-N
XLogP3.74
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N,N-diethyl-4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 64546177
2-(1H-benzimidazol-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66527326
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
2-(1H-benzimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 66527309

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline?
The IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline (CID 124824368) is 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline is CCN(CC)c1ccc(CNCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline?
The InChIKey is IJJCZLKFAGLKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-3-24(4-2)17-11-9-16(10-12-17)15-21-14-13-20-22-18-7-5-6-8-19(18)23-20/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23).
What are the key properties of 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline?
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline has a molecular weight of 322.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline is sourced from PubChem (CID 124824368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).