6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine

C21H22FN5O2 — CID 10023597

IUPAC6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)N(C)c1nc2ccc(-c3noc(COCc4ccc(F)cc4)n3)cc2[nH]1
InChIInChI=1S/C21H22FN5O2/c1-13(2)27(3)21-23-17-9-6-15(10-18(17)24-21)20-25-19(29-26-20)12-28-11-14-4-7-16(22)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyQUIUZXRAGXAICP-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.31
Rot. Bonds7

About 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine

6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine (PubChem CID 10023597) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
PubChem CID10023597
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)N(C)c1nc2ccc(-c3noc(COCc4ccc(F)cc4)n3)cc2[nH]1
InChIInChI=1S/C21H22FN5O2/c1-13(2)27(3)21-23-17-9-6-15(10-18(17)24-21)20-25-19(29-26-20)12-28-11-14-4-7-16(22)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChIKeyQUIUZXRAGXAICP-UHFFFAOYSA-N
XLogP4.31
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1H-benzimidazol-2-one
CID 50806792
5-[(4-fluorophenyl)methyl]-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172648
7-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53065522
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
2-[5-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179946
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600
5-[2-(dimethylsulfamoylamino)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 110323562
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
3-(2,3-diethylbenzimidazol-5-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole
CID 53172748
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
6-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propan-2-ylquinoxalin-2-one
CID 53065215

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine?
The IUPAC name of 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine (CID 10023597) is 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine is CC(C)N(C)c1nc2ccc(-c3noc(COCc4ccc(F)cc4)n3)cc2[nH]1.
What is the InChIKey of 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine?
The InChIKey is QUIUZXRAGXAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13(2)27(3)21-23-17-9-6-15(10-18(17)24-21)20-25-19(29-26-20)12-28-11-14-4-7-16(22)8-5-14/h4-10,13H,11-12H2,1-3H3,(H,23,24).
What are the key properties of 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine?
6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine has a molecular weight of 395.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4-fluorophenyl)methoxymethyl]-1,2,4-oxadiazol-3-yl]-N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 10023597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).