2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole

C20H16N4O — CID 3007934

IUPAC2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(C5=NCCN5)cc4)o3)nc2c1
InChIInChI=1S/C20H16N4O/c1-2-4-16-15(3-1)23-20(24-16)18-10-9-17(25-18)13-5-7-14(8-6-13)19-21-11-12-22-19/h1-10H,11-12H2,(H,21,22)(H,23,24)
InChIKeyXDFQDDCYYZDDDY-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.84
Rot. Bonds3

About 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole

2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole (PubChem CID 3007934) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
PubChem CID3007934
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(C5=NCCN5)cc4)o3)nc2c1
InChIInChI=1S/C20H16N4O/c1-2-4-16-15(3-1)23-20(24-16)18-10-9-17(25-18)13-5-7-14(8-6-13)19-21-11-12-22-19/h1-10H,11-12H2,(H,21,22)(H,23,24)
InChIKeyXDFQDDCYYZDDDY-UHFFFAOYSA-N
XLogP3.84
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole (CID 3007934) is 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3ccc(-c4ccc(C5=NCCN5)cc4)o3)nc2c1.
What is the InChIKey of 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is XDFQDDCYYZDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-4-16-15(3-1)23-20(24-16)18-10-9-17(25-18)13-5-7-14(8-6-13)19-21-11-12-22-19/h1-10H,11-12H2,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole?
2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 328.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 3007934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).