1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one

C33H32N4O — CID 5058665

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cnc2ccccn12)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N4O/c38-32(24-29(26-12-4-1-5-13-26)30-25-34-31-18-10-11-19-37(30)31)35-20-22-36(23-21-35)33(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19,25,29,33H,20-24H2
InChIKeyRUGWREZVGSKAQI-UHFFFAOYSA-N
MW500.65 g/mol
LogP5.79
Rot. Bonds7

About 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one (PubChem CID 5058665) has the molecular formula C33H32N4O and a molecular weight of 500.65 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
PubChem CID5058665
Molecular FormulaC33H32N4O
Molecular Weight500.65 g/mol
Exact Mass500.26
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cnc2ccccn12)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H32N4O/c38-32(24-29(26-12-4-1-5-13-26)30-25-34-31-18-10-11-19-37(30)31)35-20-22-36(23-21-35)33(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19,25,29,33H,20-24H2
InChIKeyRUGWREZVGSKAQI-UHFFFAOYSA-N
XLogP5.79
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782100
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
CID 4171526
ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782057
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4695381
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one (CID 5058665) is 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1cnc2ccccn12)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one?
The InChIKey is RUGWREZVGSKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O/c38-32(24-29(26-12-4-1-5-13-26)30-25-34-31-18-10-11-19-37(30)31)35-20-22-36(23-21-35)33(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-19,25,29,33H,20-24H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one has a molecular weight of 500.65 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one is sourced from PubChem (CID 5058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).