(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide

C26H21N3O2 — CID 59170805

IUPAC(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc3c2Cc2ccccc2-3)ccc1-n1ccnc1
InChIInChI=1S/C26H21N3O2/c1-31-25-15-18(9-11-24(25)29-14-13-27-17-29)10-12-26(30)28-23-8-4-7-21-20-6-3-2-5-19(20)16-22(21)23/h2-15,17H,16H2,1H3,(H,28,30)/b12-10+
InChIKeyFZYUTPZOKJJUQK-ZRDIBKRKSA-N
MW407.47 g/mol
LogP5.10
Rot. Bonds5

About (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide

(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide (PubChem CID 59170805) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide
PubChem CID59170805
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc3c2Cc2ccccc2-3)ccc1-n1ccnc1
InChIInChI=1S/C26H21N3O2/c1-31-25-15-18(9-11-24(25)29-14-13-27-17-29)10-12-26(30)28-23-8-4-7-21-20-6-3-2-5-19(20)16-22(21)23/h2-15,17H,16H2,1H3,(H,28,30)/b12-10+
InChIKeyFZYUTPZOKJJUQK-ZRDIBKRKSA-N
XLogP5.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 66960829
tert-butyl (2S)-2-[[(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enoyl]amino]-2-phenylacetate
CID 59170792
(E)-3-(4-imidazol-1-yl-3-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 159205677
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
CID 159846685
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]prop-2-enamide
CID 122306183
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
CID 121149196
3-(3,4-dimethoxyphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 75947138
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919

Frequently Asked Questions

What is the IUPAC name of (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide (CID 59170805) is (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc3c2Cc2ccccc2-3)ccc1-n1ccnc1.
What is the InChIKey of (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide?
The InChIKey is FZYUTPZOKJJUQK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-31-25-15-18(9-11-24(25)29-14-13-27-17-29)10-12-26(30)28-23-8-4-7-21-20-6-3-2-5-19(20)16-22(21)23/h2-15,17H,16H2,1H3,(H,28,30)/b12-10+.
What are the key properties of (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide?
(E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(9H-fluoren-1-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 59170805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).