2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C15H15BrClN3O — CID 106375819

IUPAC2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(C(C)Cl)nc3cc(Br)ccc32)oc1C
InChIInChI=1S/C15H15BrClN3O/c1-8(17)15-19-12-6-11(16)4-5-13(12)20(15)7-14-18-9(2)10(3)21-14/h4-6,8H,7H2,1-3H3
InChIKeyQOWUYAQUOPDDRD-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.75
Rot. Bonds3

About 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106375819) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106375819
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(C(C)Cl)nc3cc(Br)ccc32)oc1C
InChIInChI=1S/C15H15BrClN3O/c1-8(17)15-19-12-6-11(16)4-5-13(12)20(15)7-14-18-9(2)10(3)21-14/h4-6,8H,7H2,1-3H3
InChIKeyQOWUYAQUOPDDRD-UHFFFAOYSA-N
XLogP4.75
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.75
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)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375889
5-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280635
3-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420206
5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106294994
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65346717
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 106375819) is 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2c(C(C)Cl)nc3cc(Br)ccc32)oc1C.
What is the InChIKey of 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is QOWUYAQUOPDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-8(17)15-19-12-6-11(16)4-5-13(12)20(15)7-14-18-9(2)10(3)21-14/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 368.66 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106375819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).