1-(4-imidazol-1-ylbutyl)indole

C15H17N3 — CID 151284685

IUPAC1-(4-imidazol-1-ylbutyl)indole
SMILESc1ccc2c(c1)ccn2CCCCn1ccnc1
InChIInChI=1S/C15H17N3/c1-2-6-15-14(5-1)7-11-18(15)10-4-3-9-17-12-8-16-13-17/h1-2,5-8,11-13H,3-4,9-10H2
InChIKeyNZDCXEUKHAOOBA-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-imidazol-1-ylbutyl)indole

1-(4-imidazol-1-ylbutyl)indole (PubChem CID 151284685) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylbutyl)indole.

Molecular Properties

Compound Name1-(4-imidazol-1-ylbutyl)indole
PubChem CID151284685
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(4-imidazol-1-ylbutyl)indole
SMILESc1ccc2c(c1)ccn2CCCCn1ccnc1
InChIInChI=1S/C15H17N3/c1-2-6-15-14(5-1)7-11-18(15)10-4-3-9-17-12-8-16-13-17/h1-2,5-8,11-13H,3-4,9-10H2
InChIKeyNZDCXEUKHAOOBA-UHFFFAOYSA-N
XLogP3.32
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)indole
CID 81113690
1-[1-(3-imidazol-1-ylpropyl)indol-5-yl]-N-methylmethanamine
CID 102915693
3-indol-1-ylpropane-1-thiol
CID 139540347
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-iodopropyl)indole
CID 11323600
1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
CID 107919030
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
CID 126433574
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341837
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(8-phenyloctyl)imidazole
CID 102394184
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
CID 56748742
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylbutyl)indole?
The IUPAC name of 1-(4-imidazol-1-ylbutyl)indole (CID 151284685) is 1-(4-imidazol-1-ylbutyl)indole.
What is the SMILES notation for 1-(4-imidazol-1-ylbutyl)indole?
The canonical SMILES for 1-(4-imidazol-1-ylbutyl)indole is c1ccc2c(c1)ccn2CCCCn1ccnc1.
What is the InChIKey of 1-(4-imidazol-1-ylbutyl)indole?
The InChIKey is NZDCXEUKHAOOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-6-15-14(5-1)7-11-18(15)10-4-3-9-17-12-8-16-13-17/h1-2,5-8,11-13H,3-4,9-10H2.
What are the key properties of 1-(4-imidazol-1-ylbutyl)indole?
1-(4-imidazol-1-ylbutyl)indole has a molecular weight of 239.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylbutyl)indole is sourced from PubChem (CID 151284685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).