2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C15H15Cl2N3O — CID 106375855

IUPAC2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(CCCl)nc3cc(Cl)ccc32)oc1C
InChIInChI=1S/C15H15Cl2N3O/c1-9-10(2)21-15(18-9)8-20-13-4-3-11(17)7-12(13)19-14(20)5-6-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeySGACHWIEYQHWSO-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.12
Rot. Bonds4

About 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106375855) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106375855
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(CCCl)nc3cc(Cl)ccc32)oc1C
InChIInChI=1S/C15H15Cl2N3O/c1-9-10(2)21-15(18-9)8-20-13-4-3-11(17)7-12(13)19-14(20)5-6-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeySGACHWIEYQHWSO-UHFFFAOYSA-N
XLogP4.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 106375855) is 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2c(CCCl)nc3cc(Cl)ccc32)oc1C.
What is the InChIKey of 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is SGACHWIEYQHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9-10(2)21-15(18-9)8-20-13-4-3-11(17)7-12(13)19-14(20)5-6-16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 324.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106375855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).