N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide

C24H25N5OS — CID 15944837

IUPACN-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCN(CCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H25N5OS/c1-2-29(20-6-4-3-5-7-20)15-14-26-23(30)19-10-8-18(9-11-19)17-31-24-27-21-12-13-25-16-22(21)28-24/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyXXXQYGPIIKVQNV-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.51
Rot. Bonds9

About N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide

N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 15944837) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID15944837
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCN(CCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H25N5OS/c1-2-29(20-6-4-3-5-7-20)15-14-26-23(30)19-10-8-18(9-11-19)17-31-24-27-21-12-13-25-16-22(21)28-24/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)(H,27,28)
InChIKeyXXXQYGPIIKVQNV-UHFFFAOYSA-N
XLogP4.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide (CID 15944837) is N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide is CCN(CCNC(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is XXXQYGPIIKVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-2-29(20-6-4-3-5-7-20)15-14-26-23(30)19-10-8-18(9-11-19)17-31-24-27-21-12-13-25-16-22(21)28-24/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide?
N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 431.57 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 15944837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).