4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide

C25H21N5OS — CID 56518872

IUPAC4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C25H21N5OS/c31-25(27-13-3-6-24-29-22(16-32-24)18-11-14-26-15-12-18)19-7-9-20(10-8-19)30-17-28-21-4-1-2-5-23(21)30/h1-2,4-5,7-12,14-17H,3,6,13H2,(H,27,31)
InChIKeyNHGZEHZYWQKKMX-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.91
Rot. Bonds7

About 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide

4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 56518872) has the molecular formula C25H21N5OS and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
PubChem CID56518872
Molecular FormulaC25H21N5OS
Molecular Weight439.54 g/mol
Exact Mass439.15
IUPAC Name4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C25H21N5OS/c31-25(27-13-3-6-24-29-22(16-32-24)18-11-14-26-15-12-18)19-7-9-20(10-8-19)30-17-28-21-4-1-2-5-23(21)30/h1-2,4-5,7-12,14-17H,3,6,13H2,(H,27,31)
InChIKeyNHGZEHZYWQKKMX-UHFFFAOYSA-N
XLogP4.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 56518615
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
1-acetyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 56520293
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
4-N,4-N-dicyclohexyl-1-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 4531775
4-(benzimidazol-1-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56523639
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
4-(benzimidazol-1-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 24625049
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide (CID 56518872) is 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide is O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is NHGZEHZYWQKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5OS/c31-25(27-13-3-6-24-29-22(16-32-24)18-11-14-26-15-12-18)19-7-9-20(10-8-19)30-17-28-21-4-1-2-5-23(21)30/h1-2,4-5,7-12,14-17H,3,6,13H2,(H,27,31).
What are the key properties of 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide?
4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 439.54 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 56518872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).