N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide

C18H19IN4 — CID 137175512

IUPACN-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide
SMILESI.c1cc2c3c(cccc3c1)/C(=N/CCCCn1ccnc1)N2
InChIInChI=1S/C18H18N4.HI/c1(2-11-22-12-10-19-13-22)9-20-18-15-7-3-5-14-6-4-8-16(21-18)17(14)15;/h3-8,10,12-13H,1-2,9,11H2,(H,20,21);1H
InChIKeyDZIZZXSOIQDZRK-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.31
Rot. Bonds5

About N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide

N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide (PubChem CID 137175512) has the molecular formula C18H19IN4 and a molecular weight of 418.28 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide
PubChem CID137175512
Molecular FormulaC18H19IN4
Molecular Weight418.28 g/mol
Exact Mass418.07
IUPAC NameN-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide
SMILESI.c1cc2c3c(cccc3c1)/C(=N/CCCCn1ccnc1)N2
InChIInChI=1S/C18H18N4.HI/c1(2-11-22-12-10-19-13-22)9-20-18-15-7-3-5-14-6-4-8-16(21-18)17(14)15;/h3-8,10,12-13H,1-2,9,11H2,(H,20,21);1H
InChIKeyDZIZZXSOIQDZRK-UHFFFAOYSA-N
XLogP4.31
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine
CID 135589661
N-(2-pyridin-4-ylethyl)-1H-benzo[cd]indol-2-imine
CID 135992470
N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine
CID 15023430
6-amino-2-(4-imidazol-1-ylbutyl)benzo[de]isoquinoline-1,3-dione
CID 14281449
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(4-imidazol-1-ylbutyl)indole
CID 151284685
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
CID 155534982
N-(3-imidazol-1-ylpropyl)-N-phenylbenzo[cd]indol-2-amine
CID 15035101
2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol
CID 136636012
1-(8-phenyloctyl)imidazole
CID 102394184
3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 22466842
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide (CID 137175512) is N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide is I.c1cc2c3c(cccc3c1)/C(=N/CCCCn1ccnc1)N2.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide?
The InChIKey is DZIZZXSOIQDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.HI/c1(2-11-22-12-10-19-13-22)9-20-18-15-7-3-5-14-6-4-8-16(21-18)17(14)15;/h3-8,10,12-13H,1-2,9,11H2,(H,20,21);1H.
What are the key properties of N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide?
N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide has a molecular weight of 418.28 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide is sourced from PubChem (CID 137175512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).