2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide

C14H21N5O — CID 91795145

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)Cn2cnc(C)c2C)c1C
InChIInChI=1S/C14H21N5O/c1-10-12(3)18(8-16-10)6-5-15-14(20)7-19-9-17-11(2)13(19)4/h8-9H,5-7H2,1-4H3,(H,15,20)
InChIKeyXDXZEKRFZDKSCR-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.13
Rot. Bonds5

About 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide

2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide (PubChem CID 91795145) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide
PubChem CID91795145
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)Cn2cnc(C)c2C)c1C
InChIInChI=1S/C14H21N5O/c1-10-12(3)18(8-16-10)6-5-15-14(20)7-19-9-17-11(2)13(19)4/h8-9H,5-7H2,1-4H3,(H,15,20)
InChIKeyXDXZEKRFZDKSCR-UHFFFAOYSA-N
XLogP1.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 162398071
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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide (CID 91795145) is 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide is Cc1ncn(CCNC(=O)Cn2cnc(C)c2C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide?
The InChIKey is XDXZEKRFZDKSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-12(3)18(8-16-10)6-5-15-14(20)7-19-9-17-11(2)13(19)4/h8-9H,5-7H2,1-4H3,(H,15,20).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide?
2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91795145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).