(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine

C22H29Cl2N3 — CID 6476764

IUPAC(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CN(C)C(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2N3/c1-17(2)6-5-7-18(3)10-12-26(4)22(15-27-13-11-25-16-27)20-9-8-19(23)14-21(20)24/h6,8-11,13-14,16,22H,5,7,12,15H2,1-4H3/b18-10+
InChIKeyGZEYPQKANGCJDM-VCHYOVAHSA-N
MW406.40 g/mol
LogP6.56
Rot. Bonds9

About (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine

(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine (PubChem CID 6476764) has the molecular formula C22H29Cl2N3 and a molecular weight of 406.40 g/mol. Its IUPAC name is (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine
PubChem CID6476764
Molecular FormulaC22H29Cl2N3
Molecular Weight406.40 g/mol
Exact Mass405.17
IUPAC Name(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CN(C)C(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H29Cl2N3/c1-17(2)6-5-7-18(3)10-12-26(4)22(15-27-13-11-25-16-27)20-9-8-19(23)14-21(20)24/h6,8-11,13-14,16,22H,5,7,12,15H2,1-4H3/b18-10+
InChIKeyGZEYPQKANGCJDM-VCHYOVAHSA-N
XLogP6.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine (CID 6476764) is (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CN(C)C(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine?
The InChIKey is GZEYPQKANGCJDM-VCHYOVAHSA-N. The full InChI is InChI=1S/C22H29Cl2N3/c1-17(2)6-5-7-18(3)10-12-26(4)22(15-27-13-11-25-16-27)20-9-8-19(23)14-21(20)24/h6,8-11,13-14,16,22H,5,7,12,15H2,1-4H3/b18-10+.
What are the key properties of (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine?
(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine has a molecular weight of 406.40 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 6476764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).