N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C16H9Cl2N5OS — CID 46843789

IUPACN-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C16H9Cl2N5OS/c17-13-12(14(18)20-7-19-13)23-16(24)8-3-1-4-9-11(8)22-15(21-9)10-5-2-6-25-10/h1-7H,(H,21,22)(H,23,24)
InChIKeyLAAYTVYRGUOXDZ-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.64
Rot. Bonds3

About N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46843789) has the molecular formula C16H9Cl2N5OS and a molecular weight of 390.26 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46843789
Molecular FormulaC16H9Cl2N5OS
Molecular Weight390.26 g/mol
Exact Mass388.99
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)c1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C16H9Cl2N5OS/c17-13-12(14(18)20-7-19-13)23-16(24)8-3-1-4-9-11(8)22-15(21-9)10-5-2-6-25-10/h1-7H,(H,21,22)(H,23,24)
InChIKeyLAAYTVYRGUOXDZ-UHFFFAOYSA-N
XLogP4.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 46843789) is N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)c1cccc2[nH]c(-c3cccs3)nc12.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is LAAYTVYRGUOXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5OS/c17-13-12(14(18)20-7-19-13)23-16(24)8-3-1-4-9-11(8)22-15(21-9)10-5-2-6-25-10/h1-7H,(H,21,22)(H,23,24).
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46843789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).