N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide

C29H32N4O3 — CID 90810207

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1OC
InChIInChI=1S/C29H32N4O3/c1-4-33(5-2)18-17-30-29(34)25-16-13-22(19-27(25)35-3)28-31-20-26(32-28)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyGSLUNBHUHKUBFN-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.62
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide

N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide (PubChem CID 90810207) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
PubChem CID90810207
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1OC
InChIInChI=1S/C29H32N4O3/c1-4-33(5-2)18-17-30-29(34)25-16-13-22(19-27(25)35-3)28-31-20-26(32-28)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyGSLUNBHUHKUBFN-UHFFFAOYSA-N
XLogP5.62
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide (CID 90810207) is N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide is CCN(CC)CCNC(=O)c1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide?
The InChIKey is GSLUNBHUHKUBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-4-33(5-2)18-17-30-29(34)25-16-13-22(19-27(25)35-3)28-31-20-26(32-28)21-11-14-24(15-12-21)36-23-9-7-6-8-10-23/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,30,34)(H,31,32).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 90810207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).