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

Glasdegib
CID 25166913
5,6-Dimethylbenzimidazole
CID 675
Bendazol
CID 12132
Mavorixafor
CID 11256587
Lerisetron
CID 65997
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Toreforant
CID 23650961
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387

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).