(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one

C26H23N3O2 — CID 135035985

IUPAC(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)C[C@@H](c1ccco1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N3O2/c1-28-14-13-27-26(28)24(30)16-21(25-12-7-15-31-25)22-18-29(17-19-8-3-2-4-9-19)23-11-6-5-10-20(22)23/h2-15,18,21H,16-17H2,1H3/t21-/m1/s1
InChIKeyGQSZPUHEKFMTKK-OAQYLSRUSA-N
MW409.49 g/mol
LogP5.42
Rot. Bonds7

About (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one

(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 135035985) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
PubChem CID135035985
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)C[C@@H](c1ccco1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N3O2/c1-28-14-13-27-26(28)24(30)16-21(25-12-7-15-31-25)22-18-29(17-19-8-3-2-4-9-19)23-11-6-5-10-20(22)23/h2-15,18,21H,16-17H2,1H3/t21-/m1/s1
InChIKeyGQSZPUHEKFMTKK-OAQYLSRUSA-N
XLogP5.42
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(furo[2,3-b]pyridin-3-yl)-1H-pyrrole-2,5-dione (5n)
CID 118704643
7-(Furan-2-ylmethyl)-3-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 1312086
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
4-Furan-2-yl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10744089
N-(2,6-dimethylbenzyl)-6-(furan-2-yl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine
CID 24890348
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
2,3-Di-furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 57329786
5-(Furan-2-yl(1H-imidazol-1-yl)methyl)-2-phenylpyridine
CID 57330008
2-Benzo[b]furan-2-yl-5-imidazol-1-ylmethyl-pyridine
CID 70691516
1-{9-cyclopentyl-6-[(6-furan-2-yl-pyridin-3-ylmethyl)-amino]-9H-purine-2-ylamino}-2-methyl-propan-2-ol
CID 71817799
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)methanone
CID 59326816

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one (CID 135035985) is (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1C(=O)C[C@@H](c1ccco1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is GQSZPUHEKFMTKK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-28-14-13-27-26(28)24(30)16-21(25-12-7-15-31-25)22-18-29(17-19-8-3-2-4-9-19)23-11-6-5-10-20(22)23/h2-15,18,21H,16-17H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
(3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 409.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzylindol-3-yl)-3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 135035985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).