N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide

C26H28N4O — CID 14664362

IUPACN-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O/c1-3-28(4-2)18-19-30(25-11-7-9-21-8-5-6-10-24(21)25)26(31)22-12-14-23(15-13-22)29-17-16-27-20-29/h5-17,20H,3-4,18-19H2,1-2H3
InChIKeyIRZFVAKMHWTFHI-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.01
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide

N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide (PubChem CID 14664362) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide
PubChem CID14664362
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H28N4O/c1-3-28(4-2)18-19-30(25-11-7-9-21-8-5-6-10-24(21)25)26(31)22-12-14-23(15-13-22)29-17-16-27-20-29/h5-17,20H,3-4,18-19H2,1-2H3
InChIKeyIRZFVAKMHWTFHI-UHFFFAOYSA-N
XLogP5.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide (CID 14664362) is N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide is CCN(CC)CCN(C(=O)c1ccc(-n2ccnc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide?
The InChIKey is IRZFVAKMHWTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-3-28(4-2)18-19-30(25-11-7-9-21-8-5-6-10-24(21)25)26(31)22-12-14-23(15-13-22)29-17-16-27-20-29/h5-17,20H,3-4,18-19H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide has a molecular weight of 412.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-imidazol-1-yl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 14664362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).