2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile

C21H13N3O2 — CID 174549260

IUPAC2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cccc1-n1cnc(C(=O)c2ccco2)c1
InChIInChI=1S/C21H13N3O2/c22-12-17-16(15-6-2-1-3-7-15)8-4-9-19(17)24-13-18(23-14-24)21(25)20-10-5-11-26-20/h1-11,13-14H
InChIKeyGAYGREUDZRWXAL-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.23
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile

2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile (PubChem CID 174549260) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile
PubChem CID174549260
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cccc1-n1cnc(C(=O)c2ccco2)c1
InChIInChI=1S/C21H13N3O2/c22-12-17-16(15-6-2-1-3-7-15)8-4-9-19(17)24-13-18(23-14-24)21(25)20-10-5-11-26-20/h1-11,13-14H
InChIKeyGAYGREUDZRWXAL-UHFFFAOYSA-N
XLogP4.23
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile?
The IUPAC name of 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile (CID 174549260) is 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile?
The canonical SMILES for 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile is N#Cc1c(-c2ccccc2)cccc1-n1cnc(C(=O)c2ccco2)c1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile?
The InChIKey is GAYGREUDZRWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c22-12-17-16(15-6-2-1-3-7-15)8-4-9-19(17)24-13-18(23-14-24)21(25)20-10-5-11-26-20/h1-11,13-14H.
What are the key properties of 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile?
2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile has a molecular weight of 339.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)imidazol-1-yl]-6-phenylbenzonitrile is sourced from PubChem (CID 174549260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).