5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole

C15H17ClN2O — CID 55177669

IUPAC5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole
SMILESClCc1cnc(C2(c3ccccc3)CCOCC2)[nH]1
InChIInChI=1S/C15H17ClN2O/c16-10-13-11-17-14(18-13)15(6-8-19-9-7-15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18)
InChIKeyJCWFHJUKFCULGP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.24
Rot. Bonds3

About 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole

5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole (PubChem CID 55177669) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole
PubChem CID55177669
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole
SMILESClCc1cnc(C2(c3ccccc3)CCOCC2)[nH]1
InChIInChI=1S/C15H17ClN2O/c16-10-13-11-17-14(18-13)15(6-8-19-9-7-15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18)
InChIKeyJCWFHJUKFCULGP-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole 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-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
CID 63108823
N-methyl-1-[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methanamine
CID 63108633
N-[[2-(1-phenylcyclopentyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109245
5-(4-phenyloxan-4-yl)-2H-tetrazole
CID 63081162
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
CID 100591958
4-chloro-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082885
5-(bromomethyl)-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 114205547
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
CID 66316774
5-bromo-2-(1-phenylcyclopentyl)-1H-pyrimidine-6-thione
CID 106480974
2-(chloromethyl)-5-(1-phenylcyclopropyl)-1,3-oxazole
CID 65179918
4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082884
2-(4-phenyloxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 63081854

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole?
The IUPAC name of 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole (CID 55177669) is 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole?
The canonical SMILES for 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole is ClCc1cnc(C2(c3ccccc3)CCOCC2)[nH]1.
What is the InChIKey of 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole?
The InChIKey is JCWFHJUKFCULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-10-13-11-17-14(18-13)15(6-8-19-9-7-15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18).
What are the key properties of 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole?
5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole has a molecular weight of 276.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-phenyloxan-4-yl)-1H-imidazole is sourced from PubChem (CID 55177669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).