5-(10-pyrrolidin-1-yldecyl)-1H-imidazole

C17H31N3 — CID 11231249

IUPAC5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C17H31N3/c1(3-5-7-11-17-15-18-16-19-17)2-4-6-8-12-20-13-9-10-14-20/h15-16H,1-14H2,(H,18,19)
InChIKeyZWBZUWWQDRQBAX-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.17
Rot. Bonds11

About 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole

5-(10-pyrrolidin-1-yldecyl)-1H-imidazole (PubChem CID 11231249) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole.

Molecular Properties

Compound Name5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
PubChem CID11231249
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-(10-pyrrolidin-1-yldecyl)-1H-imidazole
SMILESc1ncc(CCCCCCCCCCN2CCCC2)[nH]1
InChIInChI=1S/C17H31N3/c1(3-5-7-11-17-15-18-16-19-17)2-4-6-8-12-20-13-9-10-14-20/h15-16H,1-14H2,(H,18,19)
InChIKeyZWBZUWWQDRQBAX-UHFFFAOYSA-N
XLogP4.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
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1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
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1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
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5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
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3-(1H-imidazol-5-yl)propyl piperidine-1-carboxylate
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4-(1H-imidazol-5-yl)butan-1-amine
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10-(1H-imidazol-5-yl)decan-2-one
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3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
1-[4-(1H-imidazol-5-yl)butyl]piperazine;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-3-phenylprop-2-enoic acid
CID 159783637

Frequently Asked Questions

What is the IUPAC name of 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole?
The IUPAC name of 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole (CID 11231249) is 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole.
What is the SMILES notation for 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole?
The canonical SMILES for 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole is c1ncc(CCCCCCCCCCN2CCCC2)[nH]1.
What is the InChIKey of 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole?
The InChIKey is ZWBZUWWQDRQBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1(3-5-7-11-17-15-18-16-19-17)2-4-6-8-12-20-13-9-10-14-20/h15-16H,1-14H2,(H,18,19).
What are the key properties of 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole?
5-(10-pyrrolidin-1-yldecyl)-1H-imidazole has a molecular weight of 277.46 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-pyrrolidin-1-yldecyl)-1H-imidazole is sourced from PubChem (CID 11231249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).