1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole

C17H22N2O2 — CID 165421175

IUPAC1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2nccn2CC2CCCC2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-20-15-8-7-14(11-16(15)21-2)17-18-9-10-19(17)12-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3
InChIKeyYWRCKOYLNUZGBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.76
Rot. Bonds5

About 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole

1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole (PubChem CID 165421175) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
PubChem CID165421175
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2nccn2CC2CCCC2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-20-15-8-7-14(11-16(15)21-2)17-18-9-10-19(17)12-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3
InChIKeyYWRCKOYLNUZGBZ-UHFFFAOYSA-N
XLogP3.76
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
CID 154570731
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
CID 56879430
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90492770
4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
CID 166620077
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 74244251
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole?
The IUPAC name of 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole (CID 165421175) is 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole.
What is the SMILES notation for 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole?
The canonical SMILES for 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole is COc1ccc(-c2nccn2CC2CCCC2)cc1OC.
What is the InChIKey of 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole?
The InChIKey is YWRCKOYLNUZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-15-8-7-14(11-16(15)21-2)17-18-9-10-19(17)12-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole?
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole has a molecular weight of 286.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole is sourced from PubChem (CID 165421175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).