2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride

C23H31ClN2O2 — CID 68568507

IUPAC2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride
SMILESCOc1cccc(-c2ccc(C3(COCC4CCCC4)NCCN3)cc2)c1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-26-22-8-4-7-20(15-22)19-9-11-21(12-10-19)23(24-13-14-25-23)17-27-16-18-5-2-3-6-18;/h4,7-12,15,18,24-25H,2-3,5-6,13-14,16-17H2,1H3;1H
InChIKeyAIFRGNALYXZFSZ-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.34
Rot. Bonds7

About 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride

2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride (PubChem CID 68568507) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride.

Molecular Properties

Compound Name2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride
PubChem CID68568507
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride
SMILESCOc1cccc(-c2ccc(C3(COCC4CCCC4)NCCN3)cc2)c1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-26-22-8-4-7-20(15-22)19-9-11-21(12-10-19)23(24-13-14-25-23)17-27-16-18-5-2-3-6-18;/h4,7-12,15,18,24-25H,2-3,5-6,13-14,16-17H2,1H3;1H
InChIKeyAIFRGNALYXZFSZ-UHFFFAOYSA-N
XLogP4.34
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride?
The IUPAC name of 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride (CID 68568507) is 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride.
What is the SMILES notation for 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride?
The canonical SMILES for 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride is COc1cccc(-c2ccc(C3(COCC4CCCC4)NCCN3)cc2)c1.Cl.
What is the InChIKey of 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride?
The InChIKey is AIFRGNALYXZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-26-22-8-4-7-20(15-22)19-9-11-21(12-10-19)23(24-13-14-25-23)17-27-16-18-5-2-3-6-18;/h4,7-12,15,18,24-25H,2-3,5-6,13-14,16-17H2,1H3;1H.
What are the key properties of 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride?
2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxymethyl)-2-[4-(3-methoxyphenyl)phenyl]imidazolidine;hydrochloride is sourced from PubChem (CID 68568507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).