7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide

C27H24N6O2S — CID 42484282

IUPAC7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2scnc2-c2ccccc2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C27H24N6O2S/c1-18(34)32-23-14-20(13-22-26(23)33(16-30-22)12-10-21-9-5-6-11-28-21)27(35)29-15-24-25(31-17-36-24)19-7-3-2-4-8-19/h2-9,11,13-14,16-17H,10,12,15H2,1H3,(H,29,35)(H,32,34)
InChIKeyOUFUYDIEZTXPSQ-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.69
Rot. Bonds8

About 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide

7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide (PubChem CID 42484282) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
PubChem CID42484282
Molecular FormulaC27H24N6O2S
Molecular Weight496.60 g/mol
Exact Mass496.17
IUPAC Name7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2scnc2-c2ccccc2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C27H24N6O2S/c1-18(34)32-23-14-20(13-22-26(23)33(16-30-22)12-10-21-9-5-6-11-28-21)27(35)29-15-24-25(31-17-36-24)19-7-3-2-4-8-19/h2-9,11,13-14,16-17H,10,12,15H2,1H3,(H,29,35)(H,32,34)
InChIKeyOUFUYDIEZTXPSQ-UHFFFAOYSA-N
XLogP4.69
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide (CID 42484282) is 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide is CC(=O)Nc1cc(C(=O)NCc2scnc2-c2ccccc2)cc2ncn(CCc3ccccn3)c12.
What is the InChIKey of 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is OUFUYDIEZTXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c1-18(34)32-23-14-20(13-22-26(23)33(16-30-22)12-10-21-9-5-6-11-28-21)27(35)29-15-24-25(31-17-36-24)19-7-3-2-4-8-19/h2-9,11,13-14,16-17H,10,12,15H2,1H3,(H,29,35)(H,32,34).
What are the key properties of 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide?
7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 42484282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).