1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole

C15H19N3O — CID 104941677

IUPAC1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCOc1ccc(Cn2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H19N3O/c1-19-13-6-4-12(5-7-13)10-18-11-16-9-15(18)14-3-2-8-17-14/h4-7,9,11,14,17H,2-3,8,10H2,1H3/t14-/m0/s1
InChIKeyZVINMIFNBYQTRE-AWEZNQCLSA-N
MW257.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole

1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104941677) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104941677
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCOc1ccc(Cn2cncc2[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H19N3O/c1-19-13-6-4-12(5-7-13)10-18-11-16-9-15(18)14-3-2-8-17-14/h4-7,9,11,14,17H,2-3,8,10H2,1H3/t14-/m0/s1
InChIKeyZVINMIFNBYQTRE-AWEZNQCLSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
2-methoxy-4-[(5-piperidin-2-ylimidazol-1-yl)methyl]pyridine
CID 114705840
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]piperidine
CID 114705336
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
1-[(3-nitrophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942894
trans-methyl (1S,2S)-2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]cyclopropane-1-carboxylate
CID 139468851

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104941677) is 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole is COc1ccc(Cn2cncc2[C@@H]2CCCN2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is ZVINMIFNBYQTRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-6-4-12(5-7-13)10-18-11-16-9-15(18)14-3-2-8-17-14/h4-7,9,11,14,17H,2-3,8,10H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 257.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104941677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).