2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine

C20H25N3O — CID 141216936

IUPAC2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)13-14-24-17-11-9-16(10-12-17)15-20-21-18-7-5-6-8-19(18)22-20/h5-12H,3-4,13-15H2,1-2H3,(H,21,22)
InChIKeyLOCSMGLVNPSWKV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.87
Rot. Bonds8

About 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine

2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine (PubChem CID 141216936) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
PubChem CID141216936
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)13-14-24-17-11-9-16(10-12-17)15-20-21-18-7-5-6-8-19(18)22-20/h5-12H,3-4,13-15H2,1-2H3,(H,21,22)
InChIKeyLOCSMGLVNPSWKV-UHFFFAOYSA-N
XLogP3.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
4-(1H-benzimidazol-2-ylmethyl)-N-[5-(diethylamino)pentan-2-yl]benzamide
CID 16759221
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054
2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole
CID 90869364
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
CID 20703828
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
2-[[4-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methyl]-1H-benzimidazole
CID 70893680
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine (CID 141216936) is 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine?
The InChIKey is LOCSMGLVNPSWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23(4-2)13-14-24-17-11-9-16(10-12-17)15-20-21-18-7-5-6-8-19(18)22-20/h5-12H,3-4,13-15H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine?
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 141216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).