(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

C34H38N4O2 — CID 46081124

IUPAC(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1c(C)cc(C2CCc3nc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cn3C2)cc1C
InChIInChI=1S/C34H38N4O2/c1-24-20-29(21-25(2)33(24)40-3)28-14-15-31-35-30(23-38(31)22-28)34(39)37-18-16-36(17-19-37)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-13,20-21,23,28,32H,14-19,22H2,1-3H3
InChIKeyBEIJHSJRKPQHHV-UHFFFAOYSA-N
MW534.70 g/mol
LogP5.79
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 46081124) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID46081124
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1c(C)cc(C2CCc3nc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cn3C2)cc1C
InChIInChI=1S/C34H38N4O2/c1-24-20-29(21-25(2)33(24)40-3)28-14-15-31-35-30(23-38(31)22-28)34(39)37-18-16-36(17-19-37)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-13,20-21,23,28,32H,14-19,22H2,1-3H3
InChIKeyBEIJHSJRKPQHHV-UHFFFAOYSA-N
XLogP5.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Related Compounds

ethyl 4-(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 46080879
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 93013241
ethyl 4-[(6R)-6-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 93013112
(4-ethylpiperazin-1-yl)-[6-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080938
[6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46081107
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 46080951
[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013303
(6S)-6-(4-methoxy-3,5-dimethylphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 129423376
ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 158810826
[6-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42878709
2-(4-benzhydrylpiperazine-1-carbonyl)-5-methoxy-1H-pyridin-4-one
CID 125430948
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (CID 46081124) is (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is COc1c(C)cc(C2CCc3nc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cn3C2)cc1C.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BEIJHSJRKPQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c1-24-20-29(21-25(2)33(24)40-3)28-14-15-31-35-30(23-38(31)22-28)34(39)37-18-16-36(17-19-37)32(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-13,20-21,23,28,32H,14-19,22H2,1-3H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 534.70 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 46081124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).