5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole

C15H18ClN3 — CID 77080836

IUPAC5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1
InChIInChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyBTEIRODIUARPEE-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.36
Rot. Bonds3

About 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole

5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole (PubChem CID 77080836) 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]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
PubChem CID77080836
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1
InChIInChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyBTEIRODIUARPEE-UHFFFAOYSA-N
XLogP3.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole (CID 77080836) is 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole is Cc1ncc(CN2CCC(c3cccc(Cl)c3)C2)[nH]1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
The InChIKey is BTEIRODIUARPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-17-8-15(18-11)10-19-6-5-13(9-19)12-3-2-4-14(16)7-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole?
5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole has a molecular weight of 275.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 77080836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).