5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole

C15H18ClN3 — CID 77080163

IUPAC5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCn1cncc1CN1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3/c1-18-11-17-8-15(18)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyOQCHNIMKCJZWOJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.06
Rot. Bonds3

About 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole

5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (PubChem CID 77080163) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
PubChem CID77080163
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCn1cncc1CN1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3/c1-18-11-17-8-15(18)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyOQCHNIMKCJZWOJ-UHFFFAOYSA-N
XLogP3.06
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 99942167
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
CID 77080836
3-(3-chlorophenyl)-1-[(2,4,6-trimethoxyphenyl)methyl]pyrrolidine
CID 77086698
N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110097766
3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine
CID 124950083
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
1-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 131703561
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 66117964

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (CID 77080163) is 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The canonical SMILES for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is Cn1cncc1CN1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The InChIKey is OQCHNIMKCJZWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-18-11-17-8-15(18)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole has a molecular weight of 275.78 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 77080163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).