1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole

C19H25N5 — CID 124992897

IUPAC1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
SMILESCc1cn[nH]c1C[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C19H25N5/c1-14-11-20-22-17(14)10-15-6-5-9-24(12-15)13-19-21-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPTXSQYRUBCOKCK-HNNXBMFYSA-N
MW323.44 g/mol
LogP3.06
Rot. Bonds4

About 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole (PubChem CID 124992897) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
PubChem CID124992897
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole
SMILESCc1cn[nH]c1C[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C19H25N5/c1-14-11-20-22-17(14)10-15-6-5-9-24(12-15)13-19-21-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyPTXSQYRUBCOKCK-HNNXBMFYSA-N
XLogP3.06
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 71926955
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431
(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124956560
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124915363
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780966

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole (CID 124992897) is 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole is Cc1cn[nH]c1C[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole?
The InChIKey is PTXSQYRUBCOKCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-11-20-22-17(14)10-15-6-5-9-24(12-15)13-19-21-16-7-3-4-8-18(16)23(19)2/h3-4,7-8,11,15H,5-6,9-10,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole has a molecular weight of 323.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 124992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).