1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole

C15H19N3 — CID 104688153

IUPAC1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole
SMILESCC1(Cc2ccc(-n3ccnc3)cc2)CCCN1
InChIInChI=1S/C15H19N3/c1-15(7-2-8-17-15)11-13-3-5-14(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,17H,2,7-8,11H2,1H3
InChIKeyFFXDDFVMTLEZAV-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole

1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole (PubChem CID 104688153) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole
PubChem CID104688153
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole
SMILESCC1(Cc2ccc(-n3ccnc3)cc2)CCCN1
InChIInChI=1S/C15H19N3/c1-15(7-2-8-17-15)11-13-3-5-14(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,17H,2,7-8,11H2,1H3
InChIKeyFFXDDFVMTLEZAV-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole
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(4-imidazol-1-ylphenyl)methyl-methylazanium
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1-(4-butylphenyl)imidazole
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1-[(4-imidazol-1-ylphenyl)methyl]azocane
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1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
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2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
CID 136557380
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
2-(furan-3-ylmethyl)-2-methylazepane
CID 83182751
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole?
The IUPAC name of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole (CID 104688153) is 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole is CC1(Cc2ccc(-n3ccnc3)cc2)CCCN1.
What is the InChIKey of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole?
The InChIKey is FFXDDFVMTLEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(7-2-8-17-15)11-13-3-5-14(6-4-13)18-10-9-16-12-18/h3-6,9-10,12,17H,2,7-8,11H2,1H3.
What are the key properties of 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole?
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole has a molecular weight of 241.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole is sourced from PubChem (CID 104688153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).