2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole

C15H16ClN3O — CID 106375435

IUPAC2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cn2c(CCl)nc3ccc(C)cc32)o1
InChIInChI=1S/C15H16ClN3O/c1-3-11-8-17-15(20-11)9-19-13-6-10(2)4-5-12(13)18-14(19)7-16/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGCHYFZSMIYOZAT-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.68
Rot. Bonds4

About 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole

2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole (PubChem CID 106375435) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
PubChem CID106375435
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cn2c(CCl)nc3ccc(C)cc32)o1
InChIInChI=1S/C15H16ClN3O/c1-3-11-8-17-15(20-11)9-19-13-6-10(2)4-5-12(13)18-14(19)7-16/h4-6,8H,3,7,9H2,1-2H3
InChIKeyGCHYFZSMIYOZAT-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.68
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

2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375479
5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106374950
2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375785
2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906911
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
2-[[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375964
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
2-(chloromethyl)-6-fluoro-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 62523736
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole (CID 106375435) is 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole is CCc1cnc(Cn2c(CCl)nc3ccc(C)cc32)o1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The InChIKey is GCHYFZSMIYOZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-11-8-17-15(20-11)9-19-13-6-10(2)4-5-12(13)18-14(19)7-16/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole has a molecular weight of 289.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106375435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).