3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide

C27H20N4O4 — CID 3761035

IUPAC3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccc(NC(=O)C=Cc4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C27H20N4O4/c32-25(13-10-21-3-1-15-34-21)28-19-7-5-18(6-8-19)27-30-23-12-9-20(17-24(23)31-27)29-26(33)14-11-22-4-2-16-35-22/h1-17H,(H,28,32)(H,29,33)(H,30,31)
InChIKeyUVFVGMMQAMBWJB-UHFFFAOYSA-N
MW464.48 g/mol
LogP5.72
Rot. Bonds7

About 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide

3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 3761035) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID3761035
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC Name3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccc(NC(=O)C=Cc4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C27H20N4O4/c32-25(13-10-21-3-1-15-34-21)28-19-7-5-18(6-8-19)27-30-23-12-9-20(17-24(23)31-27)29-26(33)14-11-22-4-2-16-35-22/h1-17H,(H,28,32)(H,29,33)(H,30,31)
InChIKeyUVFVGMMQAMBWJB-UHFFFAOYSA-N
XLogP5.72
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 876025
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
CID 55729057
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 876030
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3299542
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide (CID 3761035) is 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccc(NC(=O)C=Cc4ccco4)cc3[nH]2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is UVFVGMMQAMBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4/c32-25(13-10-21-3-1-15-34-21)28-19-7-5-18(6-8-19)27-30-23-12-9-20(17-24(23)31-27)29-26(33)14-11-22-4-2-16-35-22/h1-17H,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 464.48 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 3761035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).