N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide

C24H26FN5O2 — CID 23581768

IUPACN-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C(C)C)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H26FN5O2/c1-13(2)22(31)28-23-26-20(15-6-9-17(25)10-7-15)21(27-23)16-8-11-18-19(12-16)29(5)24(32)30(18)14(3)4/h6-14H,1-5H3,(H2,26,27,28,31)
InChIKeyZJVXSGRDENTROZ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.71
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide

N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide (PubChem CID 23581768) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide
PubChem CID23581768
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C(C)C)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C24H26FN5O2/c1-13(2)22(31)28-23-26-20(15-6-9-17(25)10-7-15)21(27-23)16-8-11-18-19(12-16)29(5)24(32)30(18)14(3)4/h6-14H,1-5H3,(H2,26,27,28,31)
InChIKeyZJVXSGRDENTROZ-UHFFFAOYSA-N
XLogP4.71
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide (CID 23581768) is N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C(C)C)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide?
The InChIKey is ZJVXSGRDENTROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-13(2)22(31)28-23-26-20(15-6-9-17(25)10-7-15)21(27-23)16-8-11-18-19(12-16)29(5)24(32)30(18)14(3)4/h6-14H,1-5H3,(H2,26,27,28,31).
What are the key properties of N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide?
N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide has a molecular weight of 435.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 23581768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).