1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole

C20H25N5 — CID 95609576

IUPAC1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cnn(C[C@H]2CCCN2Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C20H25N5/c1-17-12-22-25(13-17)15-19-8-5-10-23(19)16-20-21-9-11-24(20)14-18-6-3-2-4-7-18/h2-4,6-7,9,11-13,19H,5,8,10,14-16H2,1H3/t19-/m1/s1
InChIKeySJPNWGUSNMKIJM-LJQANCHMSA-N
MW335.45 g/mol
LogP3.10
Rot. Bonds6

About 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole

1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole (PubChem CID 95609576) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
PubChem CID95609576
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cnn(C[C@H]2CCCN2Cc2nccn2Cc2ccccc2)c1
InChIInChI=1S/C20H25N5/c1-17-12-22-25(13-17)15-19-8-5-10-23(19)16-20-21-9-11-24(20)14-18-6-3-2-4-7-18/h2-4,6-7,9,11-13,19H,5,8,10,14-16H2,1H3/t19-/m1/s1
InChIKeySJPNWGUSNMKIJM-LJQANCHMSA-N
XLogP3.10
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780480
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 100842291
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
4-[(2R)-1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95750793
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 100842295
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95605825
1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
CID 71986363
1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
CID 95353791

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole (CID 95609576) is 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole is Cc1cnn(C[C@H]2CCCN2Cc2nccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is SJPNWGUSNMKIJM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5/c1-17-12-22-25(13-17)15-19-8-5-10-23(19)16-20-21-9-11-24(20)14-18-6-3-2-4-7-18/h2-4,6-7,9,11-13,19H,5,8,10,14-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole?
1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 335.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 95609576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).