1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole

C19H23N5 — CID 97254329

IUPAC1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H23N5/c1-22-12-9-21-19(22)17-8-5-11-23(17)15-18-20-10-13-24(18)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14-15H2,1H3/t17-/m0/s1
InChIKeyVSBRFBCWEMLQEB-KRWDZBQOSA-N
MW321.43 g/mol
LogP3.00
Rot. Bonds5

About 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole

1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 97254329) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID97254329
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCn1ccnc1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H23N5/c1-22-12-9-21-19(22)17-8-5-11-23(17)15-18-20-10-13-24(18)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14-15H2,1H3/t17-/m0/s1
InChIKeyVSBRFBCWEMLQEB-KRWDZBQOSA-N
XLogP3.00
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole (CID 97254329) is 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole is Cn1ccnc1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is VSBRFBCWEMLQEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5/c1-22-12-9-21-19(22)17-8-5-11-23(17)15-18-20-10-13-24(18)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole?
1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 321.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[[(2S)-2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 97254329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).