N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide

C22H19F2N3O2 — CID 51931515

IUPACN-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
SMILESC[C@H](CNC(=O)c1occc1-c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C22H19F2N3O2/c1-14(20-26-17-9-5-6-10-18(17)27(20)22(23)24)13-25-21(28)19-16(11-12-29-19)15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyMXFVLWXBUDGQPB-CQSZACIVSA-N
MW395.41 g/mol
LogP5.22
Rot. Bonds6

About N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide

N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide (PubChem CID 51931515) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
PubChem CID51931515
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC NameN-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
SMILESC[C@H](CNC(=O)c1occc1-c1ccccc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C22H19F2N3O2/c1-14(20-26-17-9-5-6-10-18(17)27(20)22(23)24)13-25-21(28)19-16(11-12-29-19)15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,28)/t14-/m1/s1
InChIKeyMXFVLWXBUDGQPB-CQSZACIVSA-N
XLogP5.22
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
CID 42928501
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide (CID 51931515) is N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide is C[C@H](CNC(=O)c1occc1-c1ccccc1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide?
The InChIKey is MXFVLWXBUDGQPB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-14(20-26-17-9-5-6-10-18(17)27(20)22(23)24)13-25-21(28)19-16(11-12-29-19)15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,28)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide?
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 51931515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).