3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide

C26H21N5O — CID 46871765

IUPAC3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
InChIKeyCJTQBCMGMLTHPI-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.69
Rot. Bonds5

About 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide

3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide (PubChem CID 46871765) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide
PubChem CID46871765
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
InChIKeyCJTQBCMGMLTHPI-UHFFFAOYSA-N
XLogP4.69
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide (CID 46871765) is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide is Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The InChIKey is CJTQBCMGMLTHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31).
What are the key properties of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 46871765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).