5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde

C23H24N4O2 — CID 169334454

IUPAC5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
SMILESCCN(CC)c1ccc(-n2nc3cc(C)c(-c4ccc(C=O)o4)cc3n2)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-5-26(6-2)17-7-9-22(16(4)11-17)27-24-20-12-15(3)19(13-21(20)25-27)23-10-8-18(14-28)29-23/h7-14H,5-6H2,1-4H3
InChIKeyAAIRPDYOBGCEJB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.96
Rot. Bonds6

About 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde

5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde (PubChem CID 169334454) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
PubChem CID169334454
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
SMILESCCN(CC)c1ccc(-n2nc3cc(C)c(-c4ccc(C=O)o4)cc3n2)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-5-26(6-2)17-7-9-22(16(4)11-17)27-24-20-12-15(3)19(13-21(20)25-27)23-10-8-18(14-28)29-23/h7-14H,5-6H2,1-4H3
InChIKeyAAIRPDYOBGCEJB-UHFFFAOYSA-N
XLogP4.96
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169334457
5-(2,3-dichlorophenyl)-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 17319015
2,2,2-trichloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 17111135
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
2-cyano-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 168522648
N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]propanamide
CID 22778161
3-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]amino]propane-1,2-diol
CID 168595625
2-chloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]benzamide
CID 17111155
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-fluorobenzamide
CID 3552988
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 17111168
5-[2-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334122

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde (CID 169334454) is 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde is CCN(CC)c1ccc(-n2nc3cc(C)c(-c4ccc(C=O)o4)cc3n2)c(C)c1.
What is the InChIKey of 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde?
The InChIKey is AAIRPDYOBGCEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-5-26(6-2)17-7-9-22(16(4)11-17)27-24-20-12-15(3)19(13-21(20)25-27)23-10-8-18(14-28)29-23/h7-14H,5-6H2,1-4H3.
What are the key properties of 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde?
5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde has a molecular weight of 388.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169334454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).