7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole

C14H14Cl2N4 — CID 61482660

IUPAC7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1ccnc1)n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H14Cl2N4/c1-10(8-19-6-5-17-9-19)20-13(7-15)18-12-4-2-3-11(16)14(12)20/h2-6,9-10H,7-8H2,1H3
InChIKeyLWDGVNRDWVTKIW-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.89
Rot. Bonds4

About 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole

7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole (PubChem CID 61482660) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
PubChem CID61482660
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1ccnc1)n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C14H14Cl2N4/c1-10(8-19-6-5-17-9-19)20-13(7-15)18-12-4-2-3-11(16)14(12)20/h2-6,9-10H,7-8H2,1H3
InChIKeyLWDGVNRDWVTKIW-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 63545795
2-(chloromethyl)-3-(1-imidazol-1-ylpropan-2-yl)benzimidazole-5-carbonitrile
CID 104715567
7-chloro-2-(chloromethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545399
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903
1-[2-(2,6-dichlorophenyl)sulfanylpropyl]imidazole
CID 71193176
7-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477720
2-(2-chloroethyl)-1-(1-imidazol-1-ylpropan-2-yl)-5-iodobenzimidazole
CID 66081841
2-(2-chloroethyl)-1-(1-imidazol-1-ylpropan-2-yl)-5-methylbenzimidazole
CID 61482854
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(2-chloroethyl)-1-(2-imidazol-1-ylethyl)-7-methylbenzimidazole
CID 115553110

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole (CID 61482660) is 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole is CC(Cn1ccnc1)n1c(CCl)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole?
The InChIKey is LWDGVNRDWVTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c1-10(8-19-6-5-17-9-19)20-13(7-15)18-12-4-2-3-11(16)14(12)20/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole?
7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole has a molecular weight of 309.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole is sourced from PubChem (CID 61482660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).