[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C22H23N3O — CID 46851350

IUPAC[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1cnc(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1
InChIInChI=1S/C22H23N3O/c1-16-15-23-21(24-16)19-11-13-25(14-12-19)22(26)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)
InChIKeyYKEYCWYMGIAIHK-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds3

About [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 46851350) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID46851350
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESCc1cnc(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1
InChIInChI=1S/C22H23N3O/c1-16-15-23-21(24-16)19-11-13-25(14-12-19)22(26)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)
InChIKeyYKEYCWYMGIAIHK-UHFFFAOYSA-N
XLogP4.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 58494521
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
5-[1-(4-methylbenzoyl)piperidin-4-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299319
methyl 2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate
CID 58494549
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124990304
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 46851350) is [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is Cc1cnc(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH]1.
What is the InChIKey of [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is YKEYCWYMGIAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-15-23-21(24-16)19-11-13-25(14-12-19)22(26)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24).
What are the key properties of [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 46851350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).