1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine

C19H19Cl2N5 — CID 4668963

IUPAC1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N5/c1-12-6-5-7-13(2)17(12)26-18(23-24-25-26)19(3,4)22-11-14-8-9-15(20)10-16(14)21/h5-11H,1-4H3/b22-11+
InChIKeyMIPAVLQBYUJVHJ-SSDVNMTOSA-N
MW388.30 g/mol
LogP4.94
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine

1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine (PubChem CID 4668963) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
PubChem CID4668963
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine
SMILESCc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N5/c1-12-6-5-7-13(2)17(12)26-18(23-24-25-26)19(3,4)22-11-14-8-9-15(20)10-16(14)21/h5-11H,1-4H3/b22-11+
InChIKeyMIPAVLQBYUJVHJ-SSDVNMTOSA-N
XLogP4.94
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-N-nitrosoaniline
CID 3521510
N-(4-chlorobenzylidene)-N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]-1-methylethyl}amine
CID 4251773
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine
CID 5052216
1-(5-chloro-2-methylphenyl)-5-[1-(1-pyrrolidinyl)cyclohexyl]-1H-tetraazole
CID 40470360
N-{2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]propan-2-yl}-2,4-dimethylaniline
CID 45600037
5-(2,4-Dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
CID 2727083
N-benzyl-1-(4-chlorophenyl)-1-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]-N-methylmethanamine
CID 4536525
1-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-1H-tetrazole
CID 5311665
N-{(2,4-dichlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-2,2,2-trifluoro-N-methylacetamide
CID 56690065
N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 97631663
N-[(S)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 97631664
1-(3-Chloro-2-methylphenyl)-5-(2-chlorophenyl)-1,2,3,4-tetraazole
CID 821340

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine (CID 4668963) is 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine is Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
The InChIKey is MIPAVLQBYUJVHJ-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c1-12-6-5-7-13(2)17(12)26-18(23-24-25-26)19(3,4)22-11-14-8-9-15(20)10-16(14)21/h5-11H,1-4H3/b22-11+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine?
1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine has a molecular weight of 388.30 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-yl]methanimine is sourced from PubChem (CID 4668963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).