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

C13H11Cl2N3O — CID 106420492

IUPAC5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1Cc1ccno1
InChIInChI=1S/C13H11Cl2N3O/c1-8(14)13-17-11-6-9(15)2-3-12(11)18(13)7-10-4-5-16-19-10/h2-6,8H,7H2,1H3
InChIKeyVQKKHLRGDGRFMZ-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.03
Rot. Bonds3

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

5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 106420492) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
PubChem CID106420492
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1Cc1ccno1
InChIInChI=1S/C13H11Cl2N3O/c1-8(14)13-17-11-6-9(15)2-3-12(11)18(13)7-10-4-5-16-19-10/h2-6,8H,7H2,1H3
InChIKeyVQKKHLRGDGRFMZ-UHFFFAOYSA-N
XLogP4.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.03
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

5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
CID 62307541
5-chloro-2-(1-chloroethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295532
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
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1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
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5-[[5-chloro-2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
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2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole (CID 106420492) is 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole is CC(Cl)c1nc2cc(Cl)ccc2n1Cc1ccno1.
What is the InChIKey of 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is VQKKHLRGDGRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8(14)13-17-11-6-9(15)2-3-12(11)18(13)7-10-4-5-16-19-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 296.16 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 106420492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).