(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine

C22H20N2O — CID 59951291

IUPAC(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine
SMILESCCn1/c(=C\C=N\c2ccc(OC)cc2)c2cccc3cccc1c32
InChIInChI=1S/C22H20N2O/c1-3-24-20(14-15-23-17-10-12-18(25-2)13-11-17)19-8-4-6-16-7-5-9-21(24)22(16)19/h4-15H,3H2,1-2H3/b20-14-,23-15+
InChIKeyNSMNNDILODXDGX-PDIADDBYSA-N
MW328.42 g/mol
LogP4.72
Rot. Bonds4

About (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine

(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine (PubChem CID 59951291) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine
PubChem CID59951291
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine
SMILESCCn1/c(=C\C=N\c2ccc(OC)cc2)c2cccc3cccc1c32
InChIInChI=1S/C22H20N2O/c1-3-24-20(14-15-23-17-10-12-18(25-2)13-11-17)19-8-4-6-16-7-5-9-21(24)22(16)19/h4-15H,3H2,1-2H3/b20-14-,23-15+
InChIKeyNSMNNDILODXDGX-PDIADDBYSA-N
XLogP4.72
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(1-methylbenzo[cd]indol-2-ylidene)-N-phenylethanimine
CID 15333384
4-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101385222
1-ethyl-2-methylidenebenzo[cd]indole
CID 23052627
(2E)-1-ethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole
CID 135770654
1,3-diethyl-5-[(2E,5Z)-2-[2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]-5-[(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)ethylidene]cyclopentylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 157474518
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126101975
10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
CID 135462299
1-ethyl-4-hydroxy-3-[(3-methoxyphenyl)iminomethyl]quinolin-2-one
CID 135498669
1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 870605
N-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)iminoethyl]-2-pyridinyl]ethanimine
CID 102586041
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine (CID 59951291) is (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine is CCn1/c(=C\C=N\c2ccc(OC)cc2)c2cccc3cccc1c32.
What is the InChIKey of (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
The InChIKey is NSMNNDILODXDGX-PDIADDBYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-3-24-20(14-15-23-17-10-12-18(25-2)13-11-17)19-8-4-6-16-7-5-9-21(24)22(16)19/h4-15H,3H2,1-2H3/b20-14-,23-15+.
What are the key properties of (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine?
(2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine has a molecular weight of 328.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-ethylbenzo[cd]indol-2-ylidene)-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 59951291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).