N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine

C24H30N4 — CID 135589661

IUPACN-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)/C(=N/CCCCCCCCCCn1ccnc1)N2
InChIInChI=1S/C24H30N4/c1(2-4-6-8-17-28-18-16-25-19-28)3-5-7-15-26-24-21-13-9-11-20-12-10-14-22(27-24)23(20)21/h9-14,16,18-19H,1-8,15,17H2,(H,26,27)
InChIKeyRUZIUDFQSFTFMQ-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.03
Rot. Bonds11

About N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine

N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine (PubChem CID 135589661) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine.

Molecular Properties

Compound NameN-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine
PubChem CID135589661
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine
SMILESc1cc2c3c(cccc3c1)/C(=N/CCCCCCCCCCn1ccnc1)N2
InChIInChI=1S/C24H30N4/c1(2-4-6-8-17-28-18-16-25-19-28)3-5-7-15-26-24-21-13-9-11-20-12-10-14-22(27-24)23(20)21/h9-14,16,18-19H,1-8,15,17H2,(H,26,27)
InChIKeyRUZIUDFQSFTFMQ-UHFFFAOYSA-N
XLogP6.03
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.03
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'}

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Related Compounds

N-(4-imidazol-1-ylbutyl)-1H-benzo[cd]indol-2-imine;hydroiodide
CID 137175512
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
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
6-amino-2-(4-imidazol-1-ylbutyl)benzo[de]isoquinoline-1,3-dione
CID 14281449
1-(8-phenyloctyl)imidazole
CID 102394184
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
7-imidazol-1-ylheptane-1-thiol
CID 156850258
3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 22466842

Frequently Asked Questions

What is the IUPAC name of N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine?
The IUPAC name of N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine (CID 135589661) is N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine.
What is the SMILES notation for N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine?
The canonical SMILES for N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine is c1cc2c3c(cccc3c1)/C(=N/CCCCCCCCCCn1ccnc1)N2.
What is the InChIKey of N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine?
The InChIKey is RUZIUDFQSFTFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1(2-4-6-8-17-28-18-16-25-19-28)3-5-7-15-26-24-21-13-9-11-20-12-10-14-22(27-24)23(20)21/h9-14,16,18-19H,1-8,15,17H2,(H,26,27).
What are the key properties of N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine?
N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine has a molecular weight of 374.53 g/mol, XLogP of 6.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-imidazol-1-yldecyl)-1H-benzo[cd]indol-2-imine is sourced from PubChem (CID 135589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).