4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

C15H18FN3 — CID 112679327

IUPAC4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCCN2)nc1-c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-10-15(12-6-2-3-7-13(12)16)19-14(18-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyBXCJJADZNHZOQA-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.82
Rot. Bonds3

About 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole

4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (PubChem CID 112679327) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
PubChem CID112679327
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(CC2CCCN2)nc1-c1ccccc1F
InChIInChI=1S/C15H18FN3/c1-10-15(12-6-2-3-7-13(12)16)19-14(18-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyBXCJJADZNHZOQA-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
4-cyclopentyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 105493657
N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
CID 112679329
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-[(4-cyclobutyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105493650
8-fluoro-3-methyl-2-(pyrrolidin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 115039507
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
4-tert-butyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 84636826

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The IUPAC name of 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole (CID 112679327) is 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is Cc1[nH]c(CC2CCCN2)nc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
The InChIKey is BXCJJADZNHZOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-15(12-6-2-3-7-13(12)16)19-14(18-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole?
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole has a molecular weight of 259.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 112679327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).