5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

C17H12BrN3S — CID 1044988

IUPAC5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESBrc1ccccc1Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C17H12BrN3S/c18-13-6-2-1-5-12(13)10-21-15-8-4-3-7-14(15)20-17(21)16-9-19-11-22-16/h1-9,11H,10H2
InChIKeyFZAZDJFRCUJBCA-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.97
Rot. Bonds3

About 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole

5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (PubChem CID 1044988) has the molecular formula C17H12BrN3S and a molecular weight of 370.28 g/mol. Its IUPAC name is 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
PubChem CID1044988
Molecular FormulaC17H12BrN3S
Molecular Weight370.28 g/mol
Exact Mass368.99
IUPAC Name5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole
SMILESBrc1ccccc1Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C17H12BrN3S/c18-13-6-2-1-5-12(13)10-21-15-8-4-3-7-14(15)20-17(21)16-9-19-11-22-16/h1-9,11H,10H2
InChIKeyFZAZDJFRCUJBCA-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole (CID 1044988) is 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is Brc1ccccc1Cn1c(-c2cncs2)nc2ccccc21.
What is the InChIKey of 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is FZAZDJFRCUJBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3S/c18-13-6-2-1-5-12(13)10-21-15-8-4-3-7-14(15)20-17(21)16-9-19-11-22-16/h1-9,11H,10H2.
What are the key properties of 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole?
5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 370.28 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 1044988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).