4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C24H22FN5O — CID 22380145

IUPAC4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3
InChIKeyZNSCATLOJNSTEO-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.38
Rot. Bonds5

About 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 22380145) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID22380145
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3
InChIKeyZNSCATLOJNSTEO-UHFFFAOYSA-N
XLogP5.38
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole 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

(6S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one
CID 134457551
4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
Bet-IN-19
CID 121375819
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
2-[1-[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225937
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 71720056
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CID 121414854
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]-3,5-dimethyl-1,2-oxazole
CID 168281528

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 22380145) is 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21.
What is the InChIKey of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZNSCATLOJNSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3.
What are the key properties of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 415.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 22380145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).