(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C24H27N3O2 — CID 90492963

IUPAC(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c1-2-29-22-11-7-6-10-21(22)24(28)26-15-12-19(13-16-26)18-27-17-14-25-23(27)20-8-4-3-5-9-20/h3-11,14,17,19H,2,12-13,15-16,18H2,1H3
InChIKeyNLWAETMQKSQIJB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds6

About (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90492963) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90492963
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c1-2-29-22-11-7-6-10-21(22)24(28)26-15-12-19(13-16-26)18-27-17-14-25-23(27)20-8-4-3-5-9-20/h3-11,14,17,19H,2,12-13,15-16,18H2,1H3
InChIKeyNLWAETMQKSQIJB-UHFFFAOYSA-N
XLogP4.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
CID 71781081
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493470
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90492963) is (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is NLWAETMQKSQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-29-22-11-7-6-10-21(22)24(28)26-15-12-19(13-16-26)18-27-17-14-25-23(27)20-8-4-3-5-9-20/h3-11,14,17,19H,2,12-13,15-16,18H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90492963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).