N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

C18H12FN3O2 — CID 57405664

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C18H12FN3O2/c19-12-5-3-11(4-6-12)17-21-14-8-7-13(10-15(14)22-17)20-18(23)16-2-1-9-24-16/h1-10H,(H,20,23)(H,21,22)
InChIKeyRHAHTQDDCYKBLX-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.21
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 57405664) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
PubChem CID57405664
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C18H12FN3O2/c19-12-5-3-11(4-6-12)17-21-14-8-7-13(10-15(14)22-17)20-18(23)16-2-1-9-24-16/h1-10H,(H,20,23)(H,21,22)
InChIKeyRHAHTQDDCYKBLX-UHFFFAOYSA-N
XLogP4.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 171509852
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
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-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 7421194
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
2,3,5,6-tetrafluoro-4-methyl-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20676770
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (CID 57405664) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is RHAHTQDDCYKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-12-5-3-11(4-6-12)17-21-14-8-7-13(10-15(14)22-17)20-18(23)16-2-1-9-24-16/h1-10H,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 57405664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).