1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole

C22H25N5 — CID 92626009

IUPAC1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C22H25N5/c1-16-20(27-13-6-5-11-21(27)23-16)15-26-12-7-8-17(14-26)22-24-18-9-3-4-10-19(18)25(22)2/h3-6,9-11,13,17H,7-8,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyCXXVPWCXLOLEAF-QGZVFWFLSA-N
MW359.48 g/mol
LogP3.91
Rot. Bonds3

About 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole

1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole (PubChem CID 92626009) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
PubChem CID92626009
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C22H25N5/c1-16-20(27-13-6-5-11-21(27)23-16)15-26-12-7-8-17(14-26)22-24-18-9-3-4-10-19(18)25(22)2/h3-6,9-11,13,17H,7-8,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyCXXVPWCXLOLEAF-QGZVFWFLSA-N
XLogP3.91
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 99940385
2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626653
2-methyl-3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95862606
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole (CID 92626009) is 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole is Cc1nc2ccccn2c1CN1CCC[C@@H](c2nc3ccccc3n2C)C1.
What is the InChIKey of 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole?
The InChIKey is CXXVPWCXLOLEAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-20(27-13-6-5-11-21(27)23-16)15-26-12-7-8-17(14-26)22-24-18-9-3-4-10-19(18)25(22)2/h3-6,9-11,13,17H,7-8,12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole?
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole has a molecular weight of 359.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole is sourced from PubChem (CID 92626009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).