N-(imidazol-1-ylmethyl)-N-methylacetamide

C7H11N3O — CID 71620409

IUPACN-(imidazol-1-ylmethyl)-N-methylacetamide
SMILESCC(=O)N(C)Cn1ccnc1
InChIInChI=1S/C7H11N3O/c1-7(11)9(2)6-10-4-3-8-5-10/h3-5H,6H2,1-2H3
InChIKeyWOVZGHUBPDSCIU-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.32
Rot. Bonds2

About N-(imidazol-1-ylmethyl)-N-methylacetamide

N-(imidazol-1-ylmethyl)-N-methylacetamide (PubChem CID 71620409) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(imidazol-1-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(imidazol-1-ylmethyl)-N-methylacetamide
PubChem CID71620409
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(imidazol-1-ylmethyl)-N-methylacetamide
SMILESCC(=O)N(C)Cn1ccnc1
InChIInChI=1S/C7H11N3O/c1-7(11)9(2)6-10-4-3-8-5-10/h3-5H,6H2,1-2H3
InChIKeyWOVZGHUBPDSCIU-UHFFFAOYSA-N
XLogP0.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(imidazol-1-ylmethyl)-N-methylacetamide?
The IUPAC name of N-(imidazol-1-ylmethyl)-N-methylacetamide (CID 71620409) is N-(imidazol-1-ylmethyl)-N-methylacetamide.
What is the SMILES notation for N-(imidazol-1-ylmethyl)-N-methylacetamide?
The canonical SMILES for N-(imidazol-1-ylmethyl)-N-methylacetamide is CC(=O)N(C)Cn1ccnc1.
What is the InChIKey of N-(imidazol-1-ylmethyl)-N-methylacetamide?
The InChIKey is WOVZGHUBPDSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-7(11)9(2)6-10-4-3-8-5-10/h3-5H,6H2,1-2H3.
What are the key properties of N-(imidazol-1-ylmethyl)-N-methylacetamide?
N-(imidazol-1-ylmethyl)-N-methylacetamide has a molecular weight of 153.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazol-1-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 71620409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).