2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

C15H16ClN3O2 — CID 106375699

IUPAC2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2nc(C(C)Cl)n(Cc3ncc(C)o3)c2c1
InChIInChI=1S/C15H16ClN3O2/c1-9-7-17-14(21-9)8-19-13-6-11(20-3)4-5-12(13)18-15(19)10(2)16/h4-7,10H,8H2,1-3H3
InChIKeyRIINQZUZISYJSK-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.69
Rot. Bonds4

About 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole

2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 106375699) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID106375699
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2nc(C(C)Cl)n(Cc3ncc(C)o3)c2c1
InChIInChI=1S/C15H16ClN3O2/c1-9-7-17-14(21-9)8-19-13-6-11(20-3)4-5-12(13)18-15(19)10(2)16/h4-7,10H,8H2,1-3H3
InChIKeyRIINQZUZISYJSK-UHFFFAOYSA-N
XLogP3.69
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.69
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

2-[[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375762
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 114180807
2-[[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375787
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
3-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406979
2-[[2-(2-chloroethyl)-5-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375633
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375479
2-(1-chloroethyl)-6-methoxy-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419705
2-(1-chloroethyl)-6-methoxy-1-(thian-2-ylmethyl)benzimidazole
CID 80609587
2-[[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375416
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389177

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole (CID 106375699) is 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is COc1ccc2nc(C(C)Cl)n(Cc3ncc(C)o3)c2c1.
What is the InChIKey of 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is RIINQZUZISYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-7-17-14(21-9)8-19-13-6-11(20-3)4-5-12(13)18-15(19)10(2)16/h4-7,10H,8H2,1-3H3.
What are the key properties of 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 305.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106375699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).