1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine

C20H24N4O — CID 15718956

IUPAC1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc(OCCn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-2-6-17(7-3-1)25-15-14-24-19-9-5-4-8-18(19)23-20(24)22-16-10-12-21-13-11-16/h1-9,16,21H,10-15H2,(H,22,23)
InChIKeyUFECANMGLOSASH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine

1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 15718956) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
PubChem CID15718956
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc(OCCn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O/c1-2-6-17(7-3-1)25-15-14-24-19-9-5-4-8-18(19)23-20(24)22-16-10-12-21-13-11-16/h1-9,16,21H,10-15H2,(H,22,23)
InChIKeyUFECANMGLOSASH-UHFFFAOYSA-N
XLogP3.28
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
CID 1298158
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 142035219

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine (CID 15718956) is 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine is c1ccc(OCCn2c(NC3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is UFECANMGLOSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-6-17(7-3-1)25-15-14-24-19-9-5-4-8-18(19)23-20(24)22-16-10-12-21-13-11-16/h1-9,16,21H,10-15H2,(H,22,23).
What are the key properties of 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine?
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 15718956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).