1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole

C14H16ClN3 — CID 117409218

IUPAC1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
SMILESCc1nccn1-c1ccc(C2CCCN2)cc1Cl
InChIInChI=1S/C14H16ClN3/c1-10-16-7-8-18(10)14-5-4-11(9-12(14)15)13-3-2-6-17-13/h4-5,7-9,13,17H,2-3,6H2,1H3
InChIKeyMOPVDWJZFBKYBJ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole

1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole (PubChem CID 117409218) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
PubChem CID117409218
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
SMILESCc1nccn1-c1ccc(C2CCCN2)cc1Cl
InChIInChI=1S/C14H16ClN3/c1-10-16-7-8-18(10)14-5-4-11(9-12(14)15)13-3-2-6-17-13/h4-5,7-9,13,17H,2-3,6H2,1H3
InChIKeyMOPVDWJZFBKYBJ-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
CID 117468071
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
7-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 96748169
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
1-chloro-7-pyrrolidin-2-ylimidazo[1,5-a]pyridine
CID 83890392

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole?
The IUPAC name of 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole (CID 117409218) is 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole.
What is the SMILES notation for 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole?
The canonical SMILES for 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole is Cc1nccn1-c1ccc(C2CCCN2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole?
The InChIKey is MOPVDWJZFBKYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-16-7-8-18(10)14-5-4-11(9-12(14)15)13-3-2-6-17-13/h4-5,7-9,13,17H,2-3,6H2,1H3.
What are the key properties of 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole?
1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole has a molecular weight of 261.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole is sourced from PubChem (CID 117409218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).