5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

C22H20F2N4O — CID 155460769

IUPAC5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(-c4cc(F)cc(F)c4)c3C3CC3)ccc21
InChIInChI=1S/C22H20F2N4O/c1-26-18-6-3-13(7-19(18)27(2)22(26)29)11-28-12-25-20(21(28)14-4-5-14)15-8-16(23)10-17(24)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyRECSPVXAIAXLLT-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.94
Rot. Bonds4

About 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 155460769) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID155460769
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(-c4cc(F)cc(F)c4)c3C3CC3)ccc21
InChIInChI=1S/C22H20F2N4O/c1-26-18-6-3-13(7-19(18)27(2)22(26)29)11-28-12-25-20(21(28)14-4-5-14)15-8-16(23)10-17(24)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyRECSPVXAIAXLLT-UHFFFAOYSA-N
XLogP3.94
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (CID 155460769) is 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Cn3cnc(-c4cc(F)cc(F)c4)c3C3CC3)ccc21.
What is the InChIKey of 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is RECSPVXAIAXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-26-18-6-3-13(7-19(18)27(2)22(26)29)11-28-12-25-20(21(28)14-4-5-14)15-8-16(23)10-17(24)9-15/h3,6-10,12,14H,4-5,11H2,1-2H3.
What are the key properties of 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 394.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 155460769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).