N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide

C24H21F3N4O — CID 162390091

IUPACN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)n1ccnc1
InChIInChI=1S/C24H21F3N4O/c1-13(31-7-6-28-12-31)24(32)29-18-8-15(9-18)21-19-10-17(26)11-20(27)23(19)30-22(21)14-2-4-16(25)5-3-14/h2-7,10-13,15,18,30H,8-9H2,1H3,(H,29,32)
InChIKeyHIIBUNSFMOBSDN-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.07
Rot. Bonds5

About N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide (PubChem CID 162390091) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide
PubChem CID162390091
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC NameN-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)n1ccnc1
InChIInChI=1S/C24H21F3N4O/c1-13(31-7-6-28-12-31)24(32)29-18-8-15(9-18)21-19-10-17(26)11-20(27)23(19)30-22(21)14-2-4-16(25)5-3-14/h2-7,10-13,15,18,30H,8-9H2,1H3,(H,29,32)
InChIKeyHIIBUNSFMOBSDN-UHFFFAOYSA-N
XLogP5.07
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide (CID 162390091) is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide is CC(C(=O)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)n1ccnc1.
What is the InChIKey of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide?
The InChIKey is HIIBUNSFMOBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-13(31-7-6-28-12-31)24(32)29-18-8-15(9-18)21-19-10-17(26)11-20(27)23(19)30-22(21)14-2-4-16(25)5-3-14/h2-7,10-13,15,18,30H,8-9H2,1H3,(H,29,32).
What are the key properties of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide?
N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide has a molecular weight of 438.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 162390091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).