3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide

C17H23ClN4O2 — CID 135092811

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1Cl
InChIInChI=1S/C17H23ClN4O2/c1-4-24-16-6-5-13(9-15(16)18)17(23)22(8-7-21(2)3)11-14-10-19-12-20-14/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeyOHSYJEWNTDALBL-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.67
Rot. Bonds8

About 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide

3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide (PubChem CID 135092811) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide
PubChem CID135092811
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1Cl
InChIInChI=1S/C17H23ClN4O2/c1-4-24-16-6-5-13(9-15(16)18)17(23)22(8-7-21(2)3)11-14-10-19-12-20-14/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeyOHSYJEWNTDALBL-UHFFFAOYSA-N
XLogP2.67
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide (CID 135092811) is 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide is CCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide?
The InChIKey is OHSYJEWNTDALBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-4-24-16-6-5-13(9-15(16)18)17(23)22(8-7-21(2)3)11-14-10-19-12-20-14/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide?
3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide has a molecular weight of 350.85 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide is sourced from PubChem (CID 135092811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).