N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C29H23Cl2N7O3S — CID 25070572

IUPACN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1ccccc1)c1ccc2nc(NC(=O)c3csc(C4CCN(C(=O)Nc5cc(Cl)nc(Cl)c5)CC4)n3)[nH]c2c1
InChIInChI=1S/C29H23Cl2N7O3S/c30-23-13-19(14-24(31)36-23)32-29(41)38-10-8-17(9-11-38)27-33-22(15-42-27)26(40)37-28-34-20-7-6-18(12-21(20)35-28)25(39)16-4-2-1-3-5-16/h1-7,12-15,17H,8-11H2,(H,32,36,41)(H2,34,35,37,40)
InChIKeyIPHULWRWKIRLCT-UHFFFAOYSA-N
MW620.52 g/mol
LogP6.62
Rot. Bonds6

About N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 25070572) has the molecular formula C29H23Cl2N7O3S and a molecular weight of 620.52 g/mol. Its IUPAC name is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID25070572
Molecular FormulaC29H23Cl2N7O3S
Molecular Weight620.52 g/mol
Exact Mass619.10
IUPAC NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1ccccc1)c1ccc2nc(NC(=O)c3csc(C4CCN(C(=O)Nc5cc(Cl)nc(Cl)c5)CC4)n3)[nH]c2c1
InChIInChI=1S/C29H23Cl2N7O3S/c30-23-13-19(14-24(31)36-23)32-29(41)38-10-8-17(9-11-38)27-33-22(15-42-27)26(40)37-28-34-20-7-6-18(12-21(20)35-28)25(39)16-4-2-1-3-5-16/h1-7,12-15,17H,8-11H2,(H,32,36,41)(H2,34,35,37,40)
InChIKeyIPHULWRWKIRLCT-UHFFFAOYSA-N
XLogP6.62
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.52
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 25070572) is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(c1ccccc1)c1ccc2nc(NC(=O)c3csc(C4CCN(C(=O)Nc5cc(Cl)nc(Cl)c5)CC4)n3)[nH]c2c1.
What is the InChIKey of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IPHULWRWKIRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N7O3S/c30-23-13-19(14-24(31)36-23)32-29(41)38-10-8-17(9-11-38)27-33-22(15-42-27)26(40)37-28-34-20-7-6-18(12-21(20)35-28)25(39)16-4-2-1-3-5-16/h1-7,12-15,17H,8-11H2,(H,32,36,41)(H2,34,35,37,40).
What are the key properties of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 620.52 g/mol, XLogP of 6.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25070572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).