1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole

C14H16ClN3 — CID 57420134

IUPAC1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
SMILESClc1ccc(Cn2ccnc2C2CCCN2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-5-3-11(4-6-12)10-18-9-8-17-14(18)13-2-1-7-16-13/h3-6,8-9,13,16H,1-2,7,10H2
InChIKeyBYWUDMMFRMIKNQ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.01
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole

1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole (PubChem CID 57420134) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
PubChem CID57420134
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
SMILESClc1ccc(Cn2ccnc2C2CCCN2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-5-3-11(4-6-12)10-18-9-8-17-14(18)13-2-1-7-16-13/h3-6,8-9,13,16H,1-2,7,10H2
InChIKeyBYWUDMMFRMIKNQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole (CID 57420134) is 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole is Clc1ccc(Cn2ccnc2C2CCCN2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole?
The InChIKey is BYWUDMMFRMIKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-5-3-11(4-6-12)10-18-9-8-17-14(18)13-2-1-7-16-13/h3-6,8-9,13,16H,1-2,7,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole?
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole has a molecular weight of 261.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 57420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).