[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone

C23H23N3O2 — CID 52992529

IUPAC[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C23H23N3O2/c27-23(26-12-9-17(10-13-26)15-25-14-11-24-16-25)22-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)22/h1-8,11,14,16-17,22H,9-10,12-13,15H2
InChIKeyBMFVGJPHJYQKRL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.06
Rot. Bonds3

About [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone

[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 52992529) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID52992529
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C23H23N3O2/c27-23(26-12-9-17(10-13-26)15-25-14-11-24-16-25)22-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)22/h1-8,11,14,16-17,22H,9-10,12-13,15H2
InChIKeyBMFVGJPHJYQKRL-UHFFFAOYSA-N
XLogP4.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-3-phenyl-
CID 11426612
1-[4-(2-biphenylyloxy)butyl]-1H-imidazole
CID 4998739
(E)-N-[3-(1H-imidazol-1-yl)propyl]-3-(2-methoxyphenyl)-2-phenyl-2-propenamide
CID 6078143
4-(2-methylimidazol-1-yl)-2-(9H-xanthen-9-yl)butanamide
CID 44308651
N-2-pyrazinyl-9H-xanthene-9-carboxamide
CID 1246885
N-(3-(1H-imidazol-1-yl)propyl)-9H-xanthene-9-carboxamide hydrochloride
CID 6603203
N-[3-(1H-imidazol-1-yl)propyl]-9H-xanthene-9-carboxamide
CID 663663
1-[4-(2-Phenylphenoxy)butyl]imidazole;hydrochloride
CID 13781105
2-(4-Methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284824

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone (CID 52992529) is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is BMFVGJPHJYQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(26-12-9-17(10-13-26)15-25-14-11-24-16-25)22-18-5-1-3-7-20(18)28-21-8-4-2-6-19(21)22/h1-8,11,14,16-17,22H,9-10,12-13,15H2.
What are the key properties of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone?
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 52992529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).