7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

C18H20N4O2S — CID 46191080

IUPAC7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C18H20N4O2S/c23-13-7-6-12(18(24)20-10-11-4-1-2-8-19-11)15-16(13)22-17(21-15)14-5-3-9-25-14/h3,5-7,9,11,19,23H,1-2,4,8,10H2,(H,20,24)(H,21,22)
InChIKeyVYRHSZRZVBIDCD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.87
Rot. Bonds4

About 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide

7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46191080) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46191080
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C18H20N4O2S/c23-13-7-6-12(18(24)20-10-11-4-1-2-8-19-11)15-16(13)22-17(21-15)14-5-3-9-25-14/h3,5-7,9,11,19,23H,1-2,4,8,10H2,(H,20,24)(H,21,22)
InChIKeyVYRHSZRZVBIDCD-UHFFFAOYSA-N
XLogP2.87
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide (CID 46191080) is 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is O=C(NCC1CCCCN1)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is VYRHSZRZVBIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-13-7-6-12(18(24)20-10-11-4-1-2-8-19-11)15-16(13)22-17(21-15)14-5-3-9-25-14/h3,5-7,9,11,19,23H,1-2,4,8,10H2,(H,20,24)(H,21,22).
What are the key properties of 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide?
7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(piperidin-2-ylmethyl)-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).