1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole

C14H16ClN3O — CID 114704542

IUPAC1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCOc1ccc(Cl)c(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H16ClN3O/c1-19-10-4-5-11(15)13(7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3
InChIKeyOPCPGVMWTZBHKV-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole

1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114704542) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114704542
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCOc1ccc(Cl)c(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C14H16ClN3O/c1-19-10-4-5-11(15)13(7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3
InChIKeyOPCPGVMWTZBHKV-UHFFFAOYSA-N
XLogP2.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
CID 107641180
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
2-[1-(2-chloro-5-methoxyphenyl)triazol-4-yl]piperidine
CID 165488704
5-methoxy-1-methyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyrazole
CID 114256723
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole (CID 114704542) is 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole is COc1ccc(Cl)c(-n2cncc2C2CCCN2)c1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is OPCPGVMWTZBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-19-10-4-5-11(15)13(7-10)18-9-16-8-14(18)12-3-2-6-17-12/h4-5,7-9,12,17H,2-3,6H2,1H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole?
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 277.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114704542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).