3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

C24H21N5S — CID 155552437

IUPAC3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(NCc2nc(-c3cccc(C)n3)c(-c3cc4cnccc4s3)[nH]2)c1
InChIInChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)
InChIKeyQIRYTECVPCJMTO-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.98
Rot. Bonds5

About 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 155552437) has the molecular formula C24H21N5S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
PubChem CID155552437
Molecular FormulaC24H21N5S
Molecular Weight411.53 g/mol
Exact Mass411.15
IUPAC Name3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(NCc2nc(-c3cccc(C)n3)c(-c3cc4cnccc4s3)[nH]2)c1
InChIInChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29)
InChIKeyQIRYTECVPCJMTO-UHFFFAOYSA-N
XLogP5.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (CID 155552437) is 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(NCc2nc(-c3cccc(C)n3)c(-c3cc4cnccc4s3)[nH]2)c1.
What is the InChIKey of 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is QIRYTECVPCJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5S/c1-15-5-3-7-18(11-15)26-14-22-28-23(19-8-4-6-16(2)27-19)24(29-22)21-12-17-13-25-10-9-20(17)30-21/h3-13,26H,14H2,1-2H3,(H,28,29).
What are the key properties of 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 411.53 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 155552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).