3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine

C20H25N3O — CID 19938404

IUPAC3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)14-7-15-24-17-12-10-16(11-13-17)20-21-18-8-5-6-9-19(18)22-20/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,21,22)
InChIKeyKVJPUBVSSMKTCE-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.34
Rot. Bonds8

About 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine

3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine (PubChem CID 19938404) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
PubChem CID19938404
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)14-7-15-24-17-12-10-16(11-13-17)20-21-18-8-5-6-9-19(18)22-20/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,21,22)
InChIKeyKVJPUBVSSMKTCE-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
N,N-diethyl-3-[[2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazol-5-yl]oxy]propan-1-amine
CID 141074168
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
CID 141216936
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
N-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-N',N'-diethylethane-1,2-diamine
CID 141029620
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine (CID 19938404) is 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine?
The InChIKey is KVJPUBVSSMKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23(4-2)14-7-15-24-17-12-10-16(11-13-17)20-21-18-8-5-6-9-19(18)22-20/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine?
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine has a molecular weight of 323.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 19938404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).