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

C20H15N3O2 — CID 876025

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23)
InChIKeyGBSOXXSKZPYXRW-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.47
Rot. Bonds4

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 876025) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID876025
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23)
InChIKeyGBSOXXSKZPYXRW-UHFFFAOYSA-N
XLogP4.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
CID 3761035
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 5127235
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
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)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
CID 44530614
(Z)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2202149
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
CID 2298805
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 876025) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GBSOXXSKZPYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 876025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).