1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol

C17H23N3O2 — CID 132775918

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCC1(O)CCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C17H23N3O2/c1-13-5-3-4-6-16(13)22-11-17(21)7-8-20(10-17)9-15-14(2)18-12-19-15/h3-6,12,21H,7-11H2,1-2H3,(H,18,19)
InChIKeyJMKJUYCYSPBANX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds5

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol (PubChem CID 132775918) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol
PubChem CID132775918
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol
SMILESCc1ccccc1OCC1(O)CCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C17H23N3O2/c1-13-5-3-4-6-16(13)22-11-17(21)7-8-20(10-17)9-15-14(2)18-12-19-15/h3-6,12,21H,7-11H2,1-2H3,(H,18,19)
InChIKeyJMKJUYCYSPBANX-UHFFFAOYSA-N
XLogP2.04
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132765235
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132764607
3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 132948444
3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 132764280
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
1-(3H-benzimidazol-5-ylmethyl)-4-[(2,4-dimethylphenoxy)methyl]piperidin-4-ol
CID 129454948
3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948174
3-methyl-1-[2-(2-methylphenoxy)ethyl]pyrrolidin-3-ol
CID 113250145
1-[3-hydroxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 132764594
1'-[(5-methyl-1H-imidazol-4-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794073
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
CID 30982079
8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 134074924

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol (CID 132775918) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol is Cc1ccccc1OCC1(O)CCN(Cc2nc[nH]c2C)C1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol?
The InChIKey is JMKJUYCYSPBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-5-3-4-6-16(13)22-11-17(21)7-8-20(10-17)9-15-14(2)18-12-19-15/h3-6,12,21H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2-methylphenoxy)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 132775918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).