4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole

C14H16ClN3 — CID 69419318

IUPAC4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole
SMILESCc1nc(Cl)c(N2CCCC2)n1-c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-11-16-13(15)14(17-9-5-6-10-17)18(11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyNEHWFCRUDBQWLY-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.43
Rot. Bonds2

About 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole

4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole (PubChem CID 69419318) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole
PubChem CID69419318
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole
SMILESCc1nc(Cl)c(N2CCCC2)n1-c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-11-16-13(15)14(17-9-5-6-10-17)18(11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3
InChIKeyNEHWFCRUDBQWLY-UHFFFAOYSA-N
XLogP3.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole?
The IUPAC name of 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole (CID 69419318) is 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole?
The canonical SMILES for 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole is Cc1nc(Cl)c(N2CCCC2)n1-c1ccccc1.
What is the InChIKey of 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole?
The InChIKey is NEHWFCRUDBQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-11-16-13(15)14(17-9-5-6-10-17)18(11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3.
What are the key properties of 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole?
4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole has a molecular weight of 261.76 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-phenyl-5-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 69419318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).