2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole

C19H21N3O2 — CID 11359197

IUPAC2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C19H21N3O2/c1-2-6-18-17(5-1)20-19(21-18)24-16-9-7-15(8-10-16)23-14-13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,20,21)
InChIKeyZBHRRRVHULNSNN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole

2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole (PubChem CID 11359197) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole
PubChem CID11359197
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole
SMILESc1ccc2[nH]c(Oc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C19H21N3O2/c1-2-6-18-17(5-1)20-19(21-18)24-16-9-7-15(8-10-16)23-14-13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,20,21)
InChIKeyZBHRRRVHULNSNN-UHFFFAOYSA-N
XLogP3.83
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 11198512
2-{4-[2-(azepan-1-yl)ethoxy]phenoxy}-1H-1,3-benzodiazole
CID 24901581
2-[(2-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
CID 706275
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
1-[2-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 761921
1-[2-(4-Methoxy-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 780983
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole (CID 11359197) is 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole is c1ccc2[nH]c(Oc3ccc(OCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
The InChIKey is ZBHRRRVHULNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-6-18-17(5-1)20-19(21-18)24-16-9-7-15(8-10-16)23-14-13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,20,21).
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole?
2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole has a molecular weight of 323.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1H-benzimidazole is sourced from PubChem (CID 11359197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).