3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

C21H17N5OS — CID 46974271

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C21H17N5OS/c27-20(9-8-19-23-16-6-1-2-7-17(16)24-19)22-15-5-3-4-14(12-15)18-13-26-10-11-28-21(26)25-18/h1-7,10-13H,8-9H2,(H,22,27)(H,23,24)
InChIKeyDDQXNLNMPJYLBM-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.51
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 46974271) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID46974271
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C21H17N5OS/c27-20(9-8-19-23-16-6-1-2-7-17(16)24-19)22-15-5-3-4-14(12-15)18-13-26-10-11-28-21(26)25-18/h1-7,10-13H,8-9H2,(H,22,27)(H,23,24)
InChIKeyDDQXNLNMPJYLBM-UHFFFAOYSA-N
XLogP4.51
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-indol-1-ylacetamide
CID 45497443
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 40506163
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 46974271) is 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is DDQXNLNMPJYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(9-8-19-23-16-6-1-2-7-17(16)24-19)22-15-5-3-4-14(12-15)18-13-26-10-11-28-21(26)25-18/h1-7,10-13H,8-9H2,(H,22,27)(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 387.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is sourced from PubChem (CID 46974271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).