N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide

C12H14ClN3O2 — CID 154142790

IUPACN-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-8(17)16-11-3-2-9(6-10(11)13)18-7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYOOMDJSNWWFZEQ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.68
Rot. Bonds4

About N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide

N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide (PubChem CID 154142790) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
PubChem CID154142790
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-8(17)16-11-3-2-9(6-10(11)13)18-7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYOOMDJSNWWFZEQ-UHFFFAOYSA-N
XLogP1.68
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide (CID 154142790) is N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OCC2=NCCN2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
The InChIKey is YOOMDJSNWWFZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8(17)16-11-3-2-9(6-10(11)13)18-7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide?
N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide has a molecular weight of 267.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 154142790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).