2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole

C20H23N3O — CID 42632541

IUPAC2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C20H23N3O/c1-6-12-23(13-7-1)14-15-24-19-11-5-2-8-16(19)20-21-17-9-3-4-10-18(17)22-20/h2-5,8-11H,1,6-7,12-15H2,(H,21,22)
InChIKeyKRKBNJWOEXWROY-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.09
Rot. Bonds5

About 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole

2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole (PubChem CID 42632541) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
PubChem CID42632541
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccccc3[nH]2)c(OCCN2CCCCC2)c1
InChIInChI=1S/C20H23N3O/c1-6-12-23(13-7-1)14-15-24-19-11-5-2-8-16(19)20-21-17-9-3-4-10-18(17)22-20/h2-5,8-11H,1,6-7,12-15H2,(H,21,22)
InChIKeyKRKBNJWOEXWROY-UHFFFAOYSA-N
XLogP4.09
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
CID 168555244
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
3-(1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 142652425
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
1-[2-[2-(furan-2-yl)phenoxy]ethyl]piperidine
CID 168525389
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
4-[2-[2-(1-benzyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenoxy]ethyl]morpholine
CID 135876509
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole (CID 42632541) is 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole is c1ccc(-c2nc3ccccc3[nH]2)c(OCCN2CCCCC2)c1.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
The InChIKey is KRKBNJWOEXWROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-6-12-23(13-7-1)14-15-24-19-11-5-2-8-16(19)20-21-17-9-3-4-10-18(17)22-20/h2-5,8-11H,1,6-7,12-15H2,(H,21,22).
What are the key properties of 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole?
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole has a molecular weight of 321.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 42632541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).