[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone

C12H11Cl2N3O — CID 107501668

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESNCCn1cnc(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c13-8-1-2-10(14)9(5-8)12(18)11-6-17(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2
InChIKeyMIUVHTRKMHJZLM-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.38
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 107501668) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
PubChem CID107501668
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
SMILESNCCn1cnc(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c13-8-1-2-10(14)9(5-8)12(18)11-6-17(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2
InChIKeyMIUVHTRKMHJZLM-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone 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

[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone
CID 107501425
[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
1-(2-aminoethyl)-N-[1-(3,4-dichlorophenyl)ethyl]imidazole-4-carboxamide
CID 107497624
1-(2-aminoethyl)-N-(5-chloro-2-cyanophenyl)imidazole-4-carboxamide
CID 107496291
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
CID 107499813
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 107501449
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone (CID 107501668) is [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone is NCCn1cnc(C(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is MIUVHTRKMHJZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-8-1-2-10(14)9(5-8)12(18)11-6-17(4-3-15)7-16-11/h1-2,5-7H,3-4,15H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 284.15 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 107501668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).