6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C20H14N4OS — CID 82367751

IUPAC6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCn1cnc2cc(-c3nc4sc(-c5ccccc5)cn4c3C=O)ccc21
InChIInChI=1S/C20H14N4OS/c1-23-12-21-15-9-14(7-8-16(15)23)19-17(11-25)24-10-18(26-20(24)22-19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyQVYJEBHIKYNFQM-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.43
Rot. Bonds3

About 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 82367751) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID82367751
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCn1cnc2cc(-c3nc4sc(-c5ccccc5)cn4c3C=O)ccc21
InChIInChI=1S/C20H14N4OS/c1-23-12-21-15-9-14(7-8-16(15)23)19-17(11-25)24-10-18(26-20(24)22-19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyQVYJEBHIKYNFQM-UHFFFAOYSA-N
XLogP4.43
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminooxymethyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155280682
6-(2,5-difluorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367774
6-(2,4-dichlorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367729
3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474450
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
2-phenyl-[1,3]thiazolo[3,2-a]benzimidazole
CID 4694439
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
CID 95996033
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 10709091
2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198272
4-methoxy-3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 22391301

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 82367751) is 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cn1cnc2cc(-c3nc4sc(-c5ccccc5)cn4c3C=O)ccc21.
What is the InChIKey of 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is QVYJEBHIKYNFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-23-12-21-15-9-14(7-8-16(15)23)19-17(11-25)24-10-18(26-20(24)22-19)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 358.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylbenzimidazol-5-yl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 82367751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).