1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine

C20H32N4O2 — CID 15718965

IUPAC1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESCCOCCN1CCC(Nc2nc3ccccc3n2CCOCC)CC1
InChIInChI=1S/C20H32N4O2/c1-3-25-15-13-23-11-9-17(10-12-23)21-20-22-18-7-5-6-8-19(18)24(20)14-16-26-4-2/h5-8,17H,3-4,9-16H2,1-2H3,(H,21,22)
InChIKeyXGEABVURPWNFPQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.99
Rot. Bonds10

About 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine

1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine (PubChem CID 15718965) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
PubChem CID15718965
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESCCOCCN1CCC(Nc2nc3ccccc3n2CCOCC)CC1
InChIInChI=1S/C20H32N4O2/c1-3-25-15-13-23-11-9-17(10-12-23)21-20-22-18-7-5-6-8-19(18)24(20)14-16-26-4-2/h5-8,17H,3-4,9-16H2,1-2H3,(H,21,22)
InChIKeyXGEABVURPWNFPQ-UHFFFAOYSA-N
XLogP2.99
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazol-2-amine
CID 142635220
N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70109569
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
N-[2-(4-fluorophenyl)-4-[4-[[1-(2-propoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70109748
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548
3-[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidine-1-carbonyl]-4-methoxybenzonitrile
CID 54131742
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
2-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829
[3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-[2-methoxy-5-(trifluoromethylamino)phenyl]methanone
CID 162547883
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine (CID 15718965) is 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine is CCOCCN1CCC(Nc2nc3ccccc3n2CCOCC)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is XGEABVURPWNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-25-15-13-23-11-9-17(10-12-23)21-20-22-18-7-5-6-8-19(18)24(20)14-16-26-4-2/h5-8,17H,3-4,9-16H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine?
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 360.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 15718965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).