N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide

C20H19N5O2S — CID 67361903

IUPACN-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NCCn2c(-c3cccs3)nc3cccc(O)c32)nc1
InChIInChI=1S/C20H19N5O2S/c1-13(26)23-14-7-8-18(22-12-14)21-9-10-25-19-15(4-2-5-16(19)27)24-20(25)17-6-3-11-28-17/h2-8,11-12,27H,9-10H2,1H3,(H,21,22)(H,23,26)
InChIKeyAQXVBJZPHAIPKD-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.94
Rot. Bonds6

About N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide

N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide (PubChem CID 67361903) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide
PubChem CID67361903
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NCCn2c(-c3cccs3)nc3cccc(O)c32)nc1
InChIInChI=1S/C20H19N5O2S/c1-13(26)23-14-7-8-18(22-12-14)21-9-10-25-19-15(4-2-5-16(19)27)24-20(25)17-6-3-11-28-17/h2-8,11-12,27H,9-10H2,1H3,(H,21,22)(H,23,26)
InChIKeyAQXVBJZPHAIPKD-UHFFFAOYSA-N
XLogP3.94
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide (CID 67361903) is N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(NCCn2c(-c3cccs3)nc3cccc(O)c32)nc1.
What is the InChIKey of N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide?
The InChIKey is AQXVBJZPHAIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13(26)23-14-7-8-18(22-12-14)21-9-10-25-19-15(4-2-5-16(19)27)24-20(25)17-6-3-11-28-17/h2-8,11-12,27H,9-10H2,1H3,(H,21,22)(H,23,26).
What are the key properties of N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide?
N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(7-hydroxy-2-thiophen-2-ylbenzimidazol-1-yl)ethylamino]-3-pyridinyl]acetamide is sourced from PubChem (CID 67361903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).