2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

C15H16ClN3O2 — CID 106375657

IUPAC2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCOc1cccc2c1nc(CCl)n2Cc1ncc(C)o1
InChIInChI=1S/C15H16ClN3O2/c1-3-20-12-6-4-5-11-15(12)18-13(7-16)19(11)9-14-17-8-10(2)21-14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyYKFVDENJVWFMEV-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.52
Rot. Bonds5

About 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 106375657) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID106375657
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCCOc1cccc2c1nc(CCl)n2Cc1ncc(C)o1
InChIInChI=1S/C15H16ClN3O2/c1-3-20-12-6-4-5-11-15(12)18-13(7-16)19(11)9-14-17-8-10(2)21-14/h4-6,8H,3,7,9H2,1-2H3
InChIKeyYKFVDENJVWFMEV-UHFFFAOYSA-N
XLogP3.52
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
2-(chloromethyl)-4-ethoxy-1-(3-methylsulfanylpropyl)benzimidazole
CID 113393135
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)-4-propoxybenzimidazole
CID 104763429
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
2-[[4-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375946
2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375785
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 114180807
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
2-[[2-(2-chloroethyl)-5-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375633
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407212

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (CID 106375657) is 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is CCOc1cccc2c1nc(CCl)n2Cc1ncc(C)o1.
What is the InChIKey of 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is YKFVDENJVWFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-20-12-6-4-5-11-15(12)18-13(7-16)19(11)9-14-17-8-10(2)21-14/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 305.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106375657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).