1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone

C12H13ClN2O2 — CID 116826133

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1=NCCN1
InChIInChI=1S/C12H13ClN2O2/c1-17-11-3-2-8(13)6-9(11)10(16)7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDFVRVGWZOWPWKD-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.92
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone

1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone (PubChem CID 116826133) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
PubChem CID116826133
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1=NCCN1
InChIInChI=1S/C12H13ClN2O2/c1-17-11-3-2-8(13)6-9(11)10(16)7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDFVRVGWZOWPWKD-UHFFFAOYSA-N
XLogP1.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 116826142
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
CID 116832910
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
5-chloro-2-methoxybenzoate
CID 6933314
1-(5-chloro-2-methoxyphenyl)pent-3-yn-1-one
CID 114964917
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone (CID 116826133) is 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone is COc1ccc(Cl)cc1C(=O)CC1=NCCN1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone?
The InChIKey is DFVRVGWZOWPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-17-11-3-2-8(13)6-9(11)10(16)7-12-14-4-5-15-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone?
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone has a molecular weight of 252.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 116826133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).