(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

C19H19N3O2 — CID 35348217

IUPAC(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19N3O2/c23-18(8-7-15-4-3-13-24-15)22-11-9-14(10-12-22)19-20-16-5-1-2-6-17(16)21-19/h1-8,13-14H,9-12H2,(H,20,21)/b8-7+
InChIKeyRPCJDKHHWYNOQR-BQYQJAHWSA-N
MW321.38 g/mol
LogP3.58
Rot. Bonds3

About (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 35348217) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID35348217
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19N3O2/c23-18(8-7-15-4-3-13-24-15)22-11-9-14(10-12-22)19-20-16-5-1-2-6-17(16)21-19/h1-8,13-14H,9-12H2,(H,20,21)/b8-7+
InChIKeyRPCJDKHHWYNOQR-BQYQJAHWSA-N
XLogP3.58
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-3-(furan-2-yl)prop-2-enamide
CID 39567549
methyl 4-[(E)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxoprop-1-enyl]benzoate
CID 35348901
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 91942549
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 171136536
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
3-(furan-2-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 110887300
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 71961008
3-(furan-2-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 72690259

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 35348217) is (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is RPCJDKHHWYNOQR-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(8-7-15-4-3-13-24-15)22-11-9-14(10-12-22)19-20-16-5-1-2-6-17(16)21-19/h1-8,13-14H,9-12H2,(H,20,21)/b8-7+.
What are the key properties of (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 321.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 35348217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).