N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide

C17H27IN4O — CID 86756598

IUPACN-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
SMILESCC(C)OCCn1c(NC2CCNCC2)nc2ccccc21.I
InChIInChI=1S/C17H26N4O.HI/c1-13(2)22-12-11-21-16-6-4-3-5-15(16)20-17(21)19-14-7-9-18-10-8-14;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyXLSMRVXONUXDPE-UHFFFAOYSA-N
MW430.33 g/mol
LogP3.24
Rot. Bonds6

About N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide

N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide (PubChem CID 86756598) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
PubChem CID86756598
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC NameN-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
SMILESCC(C)OCCn1c(NC2CCNCC2)nc2ccccc21.I
InChIInChI=1S/C17H26N4O.HI/c1-13(2)22-12-11-21-16-6-4-3-5-15(16)20-17(21)19-14-7-9-18-10-8-14;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H
InChIKeyXLSMRVXONUXDPE-UHFFFAOYSA-N
XLogP3.24
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
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
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
1-[(E)-but-2-enyl]-N-piperidin-4-ylbenzimidazol-2-amine;ethane;3-fluoroprop-1-ene
CID 143187246
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide?
The IUPAC name of N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide (CID 86756598) is N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide?
The canonical SMILES for N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide is CC(C)OCCn1c(NC2CCNCC2)nc2ccccc21.I.
What is the InChIKey of N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide?
The InChIKey is XLSMRVXONUXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-13(2)22-12-11-21-16-6-4-3-5-15(16)20-17(21)19-14-7-9-18-10-8-14;/h3-6,13-14,18H,7-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide?
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide is sourced from PubChem (CID 86756598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).