1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole

C21H27N5O — CID 50957476

IUPAC1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
SMILESCOCCN1CCC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1
InChIInChI=1S/C21H27N5O/c1-16-12-19(24-23-16)21-20(18-6-4-3-5-7-18)22-15-26(21)14-17-8-9-25(13-17)10-11-27-2/h3-7,12,15,17H,8-11,13-14H2,1-2H3,(H,23,24)
InChIKeyLAKXRHIJRSPPAT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.22
Rot. Bonds7

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

1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole (PubChem CID 50957476) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
PubChem CID50957476
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
SMILESCOCCN1CCC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1
InChIInChI=1S/C21H27N5O/c1-16-12-19(24-23-16)21-20(18-6-4-3-5-7-18)22-15-26(21)14-17-8-9-25(13-17)10-11-27-2/h3-7,12,15,17H,8-11,13-14H2,1-2H3,(H,23,24)
InChIKeyLAKXRHIJRSPPAT-UHFFFAOYSA-N
XLogP3.22
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole (CID 50957476) is 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The canonical SMILES for 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole is COCCN1CCC(Cn2cnc(-c3ccccc3)c2-c2cc(C)[nH]n2)C1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
The InChIKey is LAKXRHIJRSPPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16-12-19(24-23-16)21-20(18-6-4-3-5-7-18)22-15-26(21)14-17-8-9-25(13-17)10-11-27-2/h3-7,12,15,17H,8-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole?
1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole has a molecular weight of 365.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole is sourced from PubChem (CID 50957476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).