N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide

C24H20N4O2S — CID 1043694

IUPACN-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
SMILESCOCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C24H20N4O2S/c1-14-12-16(13-30-2)19-20(28-23(29)15-8-4-3-5-9-15)21(31-24(19)25-14)22-26-17-10-6-7-11-18(17)27-22/h3-12H,13H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyIVJMPEPCHSBOBL-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.55
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide

N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide (PubChem CID 1043694) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
PubChem CID1043694
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
SMILESCOCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C24H20N4O2S/c1-14-12-16(13-30-2)19-20(28-23(29)15-8-4-3-5-9-15)21(31-24(19)25-14)22-26-17-10-6-7-11-18(17)27-22/h3-12H,13H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyIVJMPEPCHSBOBL-UHFFFAOYSA-N
XLogP5.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide (CID 1043694) is N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide is COCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(NC(=O)c3ccccc3)c12.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is IVJMPEPCHSBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-14-12-16(13-30-2)19-20(28-23(29)15-8-4-3-5-9-15)21(31-24(19)25-14)22-26-17-10-6-7-11-18(17)27-22/h3-12H,13H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 428.52 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 1043694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).