4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline

C35H47N5O2 — CID 19810971

IUPAC4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline
SMILESCCN(CC)c1ccc(-c2nc(-c3cc(OC)c(N(CC)CC)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C35H47N5O2/c1-9-38(10-2)28-19-15-25(16-20-28)32-33(26-17-21-29(22-18-26)39(11-3)12-4)37-35(36-32)27-23-30(41-7)34(31(24-27)42-8)40(13-5)14-6/h15-24H,9-14H2,1-8H3,(H,36,37)
InChIKeyAYLANTMKJMNDJE-UHFFFAOYSA-N
MW569.79 g/mol
LogP7.97
Rot. Bonds14

About 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline

4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline (PubChem CID 19810971) has the molecular formula C35H47N5O2 and a molecular weight of 569.79 g/mol. Its IUPAC name is 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline.

Molecular Properties

Compound Name4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline
PubChem CID19810971
Molecular FormulaC35H47N5O2
Molecular Weight569.79 g/mol
Exact Mass569.37
IUPAC Name4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline
SMILESCCN(CC)c1ccc(-c2nc(-c3cc(OC)c(N(CC)CC)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C35H47N5O2/c1-9-38(10-2)28-19-15-25(16-20-28)32-33(26-17-21-29(22-18-26)39(11-3)12-4)37-35(36-32)27-23-30(41-7)34(31(24-27)42-8)40(13-5)14-6/h15-24H,9-14H2,1-8H3,(H,36,37)
InChIKeyAYLANTMKJMNDJE-UHFFFAOYSA-N
XLogP7.97
TPSA56.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline?
The IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline (CID 19810971) is 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline.
What is the SMILES notation for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline?
The canonical SMILES for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline is CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(N(CC)CC)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline?
The InChIKey is AYLANTMKJMNDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O2/c1-9-38(10-2)28-19-15-25(16-20-28)32-33(26-17-21-29(22-18-26)39(11-3)12-4)37-35(36-32)27-23-30(41-7)34(31(24-27)42-8)40(13-5)14-6/h15-24H,9-14H2,1-8H3,(H,36,37).
What are the key properties of 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline?
4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline has a molecular weight of 569.79 g/mol, XLogP of 7.97, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline is sourced from PubChem (CID 19810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).