1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole

C14H23N3O — CID 95841791

IUPAC1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
SMILESCn1ccnc1C[C@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C14H23N3O/c1-16-7-5-15-14(16)10-12-2-6-17(11-12)13-3-8-18-9-4-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12-/m1/s1
InChIKeyICIQXDBUKQZMMQ-GFCCVEGCSA-N
MW249.36 g/mol
LogP1.46
Rot. Bonds3

About 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole

1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole (PubChem CID 95841791) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
PubChem CID95841791
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
SMILESCn1ccnc1C[C@H]1CCN(C2CCOCC2)C1
InChIInChI=1S/C14H23N3O/c1-16-7-5-15-14(16)10-12-2-6-17(11-12)13-3-8-18-9-4-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12-/m1/s1
InChIKeyICIQXDBUKQZMMQ-GFCCVEGCSA-N
XLogP1.46
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
N,N-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245439
2-[[1-(oxan-4-yl)piperidin-3-yl]methyl]-1,3-thiazole
CID 73440171
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
1-methyl-2-(oxan-4-ylsulfanylmethyl)imidazole
CID 97243699
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
3-methoxy-1-[(3S)-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95843170
5-[[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900208
4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900211

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole (CID 95841791) is 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole is Cn1ccnc1C[C@H]1CCN(C2CCOCC2)C1.
What is the InChIKey of 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole?
The InChIKey is ICIQXDBUKQZMMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-7-5-15-14(16)10-12-2-6-17(11-12)13-3-8-18-9-4-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole?
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole has a molecular weight of 249.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole is sourced from PubChem (CID 95841791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).