1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole

C17H21N5 — CID 95322919

IUPAC1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCn1cc([C@@H]2CCCN2Cc2nc3ccccc3n2C)cn1
InChIInChI=1S/C17H21N5/c1-20-11-13(10-18-20)15-8-5-9-22(15)12-17-19-14-6-3-4-7-16(14)21(17)2/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3/t15-/m0/s1
InChIKeyWAFHNCPYNWMYEV-HNNXBMFYSA-N
MW295.39 g/mol
LogP2.64
Rot. Bonds3

About 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole

1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 95322919) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole
PubChem CID95322919
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCn1cc([C@@H]2CCCN2Cc2nc3ccccc3n2C)cn1
InChIInChI=1S/C17H21N5/c1-20-11-13(10-18-20)15-8-5-9-22(15)12-17-19-14-6-3-4-7-16(14)21(17)2/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3/t15-/m0/s1
InChIKeyWAFHNCPYNWMYEV-HNNXBMFYSA-N
XLogP2.64
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole (CID 95322919) is 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole is Cn1cc([C@@H]2CCCN2Cc2nc3ccccc3n2C)cn1.
What is the InChIKey of 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is WAFHNCPYNWMYEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5/c1-20-11-13(10-18-20)15-8-5-9-22(15)12-17-19-14-6-3-4-7-16(14)21(17)2/h3-4,6-7,10-11,15H,5,8-9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95322919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).