2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole

C15H16ClN3O — CID 106375479

IUPAC2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cn2c(C(C)Cl)nc3ccccc32)o1
InChIInChI=1S/C15H16ClN3O/c1-3-11-8-17-14(20-11)9-19-13-7-5-4-6-12(13)18-15(19)10(2)16/h4-8,10H,3,9H2,1-2H3
InChIKeyHDEZGFFFOHFGOT-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.93
Rot. Bonds4

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

2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole (PubChem CID 106375479) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
PubChem CID106375479
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(Cn2c(C(C)Cl)nc3ccccc32)o1
InChIInChI=1S/C15H16ClN3O/c1-3-11-8-17-14(20-11)9-19-13-7-5-4-6-12(13)18-15(19)10(2)16/h4-8,10H,3,9H2,1-2H3
InChIKeyHDEZGFFFOHFGOT-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
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-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 114180807
2-[[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375416
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375762
2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375699
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
4-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63826223
2-[[2-(chloromethyl)-6-methylbenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375435
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
5-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280677
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375000

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole (CID 106375479) is 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole is CCc1cnc(Cn2c(C(C)Cl)nc3ccccc32)o1.
What is the InChIKey of 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
The InChIKey is HDEZGFFFOHFGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-11-8-17-14(20-11)9-19-13-7-5-4-6-12(13)18-15(19)10(2)16/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole?
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole has a molecular weight of 289.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 106375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).