1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

C22H27N5O — CID 72861942

IUPAC1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-2-20-23-10-14-26(20)17-21(28)25-12-8-19(9-13-25)22-24-11-15-27(22)16-18-6-4-3-5-7-18/h3-7,10-11,14-15,19H,2,8-9,12-13,16-17H2,1H3
InChIKeyYPMIWMBYENCBFF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 72861942) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
PubChem CID72861942
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-2-20-23-10-14-26(20)17-21(28)25-12-8-19(9-13-25)22-24-11-15-27(22)16-18-6-4-3-5-7-18/h3-7,10-11,14-15,19H,2,8-9,12-13,16-17H2,1H3
InChIKeyYPMIWMBYENCBFF-UHFFFAOYSA-N
XLogP3.10
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
[5-[[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]furan-2-yl]methyl acetate
CID 3422469
2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97279082
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 72861942) is 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The InChIKey is YPMIWMBYENCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-20-23-10-14-26(20)17-21(28)25-12-8-19(9-13-25)22-24-11-15-27(22)16-18-6-4-3-5-7-18/h3-7,10-11,14-15,19H,2,8-9,12-13,16-17H2,1H3.
What are the key properties of 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 72861942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).