1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole

C15H19N3O — CID 114704435

IUPAC1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
SMILESCOc1cccc(Cn2cncc2C2CCCN2)c1
InChIInChI=1S/C15H19N3O/c1-19-13-5-2-4-12(8-13)10-18-11-16-9-15(18)14-6-3-7-17-14/h2,4-5,8-9,11,14,17H,3,6-7,10H2,1H3
InChIKeyQUFCTWIRVXAQRD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole

1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole (PubChem CID 114704435) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
PubChem CID114704435
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
SMILESCOc1cccc(Cn2cncc2C2CCCN2)c1
InChIInChI=1S/C15H19N3O/c1-19-13-5-2-4-12(8-13)10-18-11-16-9-15(18)14-6-3-7-17-14/h2,4-5,8-9,11,14,17H,3,6-7,10H2,1H3
InChIKeyQUFCTWIRVXAQRD-UHFFFAOYSA-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-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[(3-nitrophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942894
2-methoxy-4-[(5-piperidin-2-ylimidazol-1-yl)methyl]pyridine
CID 114705840
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole (CID 114704435) is 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole is COc1cccc(Cn2cncc2C2CCCN2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole?
The InChIKey is QUFCTWIRVXAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-5-2-4-12(8-13)10-18-11-16-9-15(18)14-6-3-7-17-14/h2,4-5,8-9,11,14,17H,3,6-7,10H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole?
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole 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-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114704435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).