1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

C16H13BrN2OS — CID 10959365

IUPAC1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SMILESCOc1ccc2nc3n(c2c1)C(c1cccc(Br)c1)SC3
InChIInChI=1S/C16H13BrN2OS/c1-20-12-5-6-13-14(8-12)19-15(18-13)9-21-16(19)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3
InChIKeyIFQPIAADFZKKHZ-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.60
Rot. Bonds2

About 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole (PubChem CID 10959365) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
PubChem CID10959365
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC Name1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SMILESCOc1ccc2nc3n(c2c1)C(c1cccc(Br)c1)SC3
InChIInChI=1S/C16H13BrN2OS/c1-20-12-5-6-13-14(8-12)19-15(18-13)9-21-16(19)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3
InChIKeyIFQPIAADFZKKHZ-UHFFFAOYSA-N
XLogP4.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromobenzyl)sulfanyl]-5-methoxy-1H-benzimidazole
CID 827839
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-
CID 361181
2-Benzylsulfanyl-5-methoxy-1-methylbenzimidazole
CID 745097
1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-
CID 362000
1-(2,6-Difluorophenyl)-6-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole
CID 395887
1-(2,6-Difluorophenyl)-7-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole
CID 395888
1-(2-Chloro-6-fluorophenyl)-7-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole
CID 396039
1-(2-Chloro-6-fluorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole
CID 396040
1-(2,6-Dichlorophenyl)-7-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole
CID 396041
1-(2,6-Dichlorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole
CID 396042
8-methoxy-1-(2,3H-thiazolo[3,4-a]benzim idazole
CID 45029292
3,7-dibromo-6-ethoxy-4-phenyl-1-thia-4a,9-diaza-3,4-dihydro-2H-fluorene
CID 18558942

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The IUPAC name of 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole (CID 10959365) is 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole.
What is the SMILES notation for 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The canonical SMILES for 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole is COc1ccc2nc3n(c2c1)C(c1cccc(Br)c1)SC3.
What is the InChIKey of 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The InChIKey is IFQPIAADFZKKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c1-20-12-5-6-13-14(8-12)19-15(18-13)9-21-16(19)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole has a molecular weight of 361.26 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole is sourced from PubChem (CID 10959365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).