(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole

C19H18ClN — CID 144587016

IUPAC(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole
SMILESC=c1[nH]c2ccccc2/c1=C/c1cc(C)c(CC)c(Cl)c1
InChIInChI=1S/C19H18ClN/c1-4-15-12(2)9-14(11-18(15)20)10-17-13(3)21-19-8-6-5-7-16(17)19/h5-11,21H,3-4H2,1-2H3/b17-10+
InChIKeyFOHRSBADZFYDBI-LICLKQGHSA-N
MW295.81 g/mol
LogP3.93
Rot. Bonds2

About (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole

(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole (PubChem CID 144587016) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole.

Molecular Properties

Compound Name(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole
PubChem CID144587016
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole
SMILESC=c1[nH]c2ccccc2/c1=C/c1cc(C)c(CC)c(Cl)c1
InChIInChI=1S/C19H18ClN/c1-4-15-12(2)9-14(11-18(15)20)10-17-13(3)21-19-8-6-5-7-16(17)19/h5-11,21H,3-4H2,1-2H3/b17-10+
InChIKeyFOHRSBADZFYDBI-LICLKQGHSA-N
XLogP3.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(3Z)-2-methylidene-3-(2-methylprop-2-enylidene)-1H-indole
CID 143173663
(3Z)-2-methylidene-3-prop-2-enylidene-1H-indole
CID 142891286
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
(3Z)-3-(2,3-dihydro-1H-pyrrol-5-ylmethylidene)-2-methylidene-1H-indole
CID 134260540
2,3-diethyl-1H-indole;hydrate
CID 70606554
bis(9H-carbazole);propane
CID 90987002
4-chloro-2-ethylnaphthalen-1-amine
CID 166071062
3-ethyl-2-propyl-1H-indole
CID 65335384
3-ethyl-2-(3-methylthiophen-2-yl)-1H-indole
CID 131886182
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole?
The IUPAC name of (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole (CID 144587016) is (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole.
What is the SMILES notation for (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole?
The canonical SMILES for (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole is C=c1[nH]c2ccccc2/c1=C/c1cc(C)c(CC)c(Cl)c1.
What is the InChIKey of (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole?
The InChIKey is FOHRSBADZFYDBI-LICLKQGHSA-N. The full InChI is InChI=1S/C19H18ClN/c1-4-15-12(2)9-14(11-18(15)20)10-17-13(3)21-19-8-6-5-7-16(17)19/h5-11,21H,3-4H2,1-2H3/b17-10+.
What are the key properties of (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole?
(3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole has a molecular weight of 295.81 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-chloro-4-ethyl-5-methylphenyl)methylidene]-2-methylidene-1H-indole is sourced from PubChem (CID 144587016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).