1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole

C17H21N5 — CID 95845112

IUPAC1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCc1cn[nH]c1[C@@H]1CCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C17H21N5/c1-12-9-18-20-17(12)13-7-8-22(10-13)11-16-19-14-5-3-4-6-15(14)21(16)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyONQDJEVMIVSMMR-CYBMUJFWSA-N
MW295.39 g/mol
LogP2.59
Rot. Bonds3

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

1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 95845112) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
PubChem CID95845112
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCc1cn[nH]c1[C@@H]1CCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C17H21N5/c1-12-9-18-20-17(12)13-7-8-22(10-13)11-16-19-14-5-3-4-6-15(14)21(16)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyONQDJEVMIVSMMR-CYBMUJFWSA-N
XLogP2.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
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1-methyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
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(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
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1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole (CID 95845112) is 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole is Cc1cn[nH]c1[C@@H]1CCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is ONQDJEVMIVSMMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-9-18-20-17(12)13-7-8-22(10-13)11-16-19-14-5-3-4-6-15(14)21(16)2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95845112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).