2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide

C24H22ClN5OS — CID 10073110

IUPAC2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
SMILES[H]/N=C1\CCCCN1c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C24H22ClN5OS/c25-21-11-10-20(32-21)24-28-18-9-4-15(13-19(18)29-24)14-23(31)27-16-5-7-17(8-6-16)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+
InChIKeyNLFMHTGAWNOQBL-XTCLZLMSSA-N
MW463.99 g/mol
LogP6.09
Rot. Bonds5

About 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide (PubChem CID 10073110) has the molecular formula C24H22ClN5OS and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
PubChem CID10073110
Molecular FormulaC24H22ClN5OS
Molecular Weight463.99 g/mol
Exact Mass463.12
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
SMILES[H]/N=C1\CCCCN1c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C24H22ClN5OS/c25-21-11-10-20(32-21)24-28-18-9-4-15(13-19(18)29-24)14-23(31)27-16-5-7-17(8-6-16)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+
InChIKeyNLFMHTGAWNOQBL-XTCLZLMSSA-N
XLogP6.09
TPSA84.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide (CID 10073110) is 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide is [H]/N=C1\CCCCN1c1ccc(NC(=O)Cc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The InChIKey is NLFMHTGAWNOQBL-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H22ClN5OS/c25-21-11-10-20(32-21)24-28-18-9-4-15(13-19(18)29-24)14-23(31)27-16-5-7-17(8-6-16)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide has a molecular weight of 463.99 g/mol, XLogP of 6.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 10073110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).