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

C15H16ClN3O2 — CID 106389177

IUPAC2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2c(c1)nc(CCl)n2C(C)c1ncc(C)o1
InChIInChI=1S/C15H16ClN3O2/c1-9-8-17-15(21-9)10(2)19-13-5-4-11(20-3)6-12(13)18-14(19)7-16/h4-6,8,10H,7H2,1-3H3
InChIKeyUAKYSTCPKUGCOO-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.69
Rot. Bonds4

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

2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole (PubChem CID 106389177) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
PubChem CID106389177
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCOc1ccc2c(c1)nc(CCl)n2C(C)c1ncc(C)o1
InChIInChI=1S/C15H16ClN3O2/c1-9-8-17-15(21-9)10(2)19-13-5-4-11(20-3)6-12(13)18-14(19)7-16/h4-6,8,10H,7H2,1-3H3
InChIKeyUAKYSTCPKUGCOO-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-[1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389175
2-[[2-(2-chloroethyl)-5-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375633
6-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 106389027
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
CID 106389161
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
2-(chloromethyl)-5-methoxy-1-prop-2-enylbenzimidazole
CID 82334561
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
2-[[2-(1-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375699
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole (CID 106389177) is 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole is COc1ccc2c(c1)nc(CCl)n2C(C)c1ncc(C)o1.
What is the InChIKey of 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole?
The InChIKey is UAKYSTCPKUGCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-8-17-15(21-9)10(2)19-13-5-4-11(20-3)6-12(13)18-14(19)7-16/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole?
2-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-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-[1-[2-(chloromethyl)-5-methoxybenzimidazol-1-yl]ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106389177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).