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

C22H20F2N4O — CID 155460766

IUPAC5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3-c3ccc(F)cc3F)ccc21
InChIInChI=1S/C22H20F2N4O/c1-26-18-8-3-13(9-19(18)27(2)22(26)29)11-28-12-25-20(14-4-5-14)21(28)16-7-6-15(23)10-17(16)24/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyZVSKTMKXYLJLNY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.94
Rot. Bonds4

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

5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 155460766) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID155460766
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3-c3ccc(F)cc3F)ccc21
InChIInChI=1S/C22H20F2N4O/c1-26-18-8-3-13(9-19(18)27(2)22(26)29)11-28-12-25-20(14-4-5-14)21(28)16-7-6-15(23)10-17(16)24/h3,6-10,12,14H,4-5,11H2,1-2H3
InChIKeyZVSKTMKXYLJLNY-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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Related Compounds

5-[[5-cyclopropyl-4-(3,5-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460769
5-[[4-cyclopropyl-5-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460686
5-[[5-cyclopropyl-4-(oxolan-3-yl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460685
5-[(5-bromobenzimidazol-1-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 155460552
5-[[4-cyclopropyl-5-(2,6-difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 155460389
5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]-3-methylsulfonyl-2-oxobenzimidazole-1-carboxamide
CID 21089545
9-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 142408991
5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]-1-(3-hydroxypropanoyl)-3-[2-(methylamino)acetyl]benzimidazol-2-one
CID 21089508
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-6-sulfanylidenepurin-2-one
CID 155704861
[3-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
CID 24765273
5-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]-3-(3-hydroxy-3-methylbutanoyl)-1-[2-(methylamino)acetyl]benzimidazol-2-one
CID 21089530

Frequently Asked Questions

What is the IUPAC name of 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one (CID 155460766) is 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3-c3ccc(F)cc3F)ccc21.
What is the InChIKey of 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is ZVSKTMKXYLJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-26-18-8-3-13(9-19(18)27(2)22(26)29)11-28-12-25-20(14-4-5-14)21(28)16-7-6-15(23)10-17(16)24/h3,6-10,12,14H,4-5,11H2,1-2H3.
What are the key properties of 5-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[4-cyclopropyl-5-(2,4-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-[[4-cyclopropyl-5-(2,4-difluorophenyl)imidazol-1-yl]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 155460766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).