N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

C20H16FN3O2 — CID 25390328

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H16FN3O2/c21-14-6-2-1-5-13(14)17-9-10-18(26-17)20(25)22-12-11-19-23-15-7-3-4-8-16(15)24-19/h1-10H,11-12H2,(H,22,25)(H,23,24)
InChIKeyNILIXLYNKOYRNU-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 25390328) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID25390328
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H16FN3O2/c21-14-6-2-1-5-13(14)17-9-10-18(26-17)20(25)22-12-11-19-23-15-7-3-4-8-16(15)24-19/h1-10H,11-12H2,(H,22,25)(H,23,24)
InChIKeyNILIXLYNKOYRNU-UHFFFAOYSA-N
XLogP3.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
5-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 51180762
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
CID 74246805
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27161588
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51109880

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 25390328) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is NILIXLYNKOYRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-14-6-2-1-5-13(14)17-9-10-18(26-17)20(25)22-12-11-19-23-15-7-3-4-8-16(15)24-19/h1-10H,11-12H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 25390328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).