2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine

C19H17BrClF2N3O — CID 162729033

IUPAC2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine
SMILESCc1cc2nc(-c3c(F)cc(Br)cc3Cl)n(CC3CNCCO3)c2cc1F
InChIInChI=1S/C19H17BrClF2N3O/c1-10-4-16-17(7-14(10)22)26(9-12-8-24-2-3-27-12)19(25-16)18-13(21)5-11(20)6-15(18)23/h4-7,12,24H,2-3,8-9H2,1H3
InChIKeyJXZSHBBFTPLMIJ-UHFFFAOYSA-N
MW456.72 g/mol
LogP4.69
Rot. Bonds3

About 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine

2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine (PubChem CID 162729033) has the molecular formula C19H17BrClF2N3O and a molecular weight of 456.72 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine
PubChem CID162729033
Molecular FormulaC19H17BrClF2N3O
Molecular Weight456.72 g/mol
Exact Mass455.02
IUPAC Name2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine
SMILESCc1cc2nc(-c3c(F)cc(Br)cc3Cl)n(CC3CNCCO3)c2cc1F
InChIInChI=1S/C19H17BrClF2N3O/c1-10-4-16-17(7-14(10)22)26(9-12-8-24-2-3-27-12)19(25-16)18-13(21)5-11(20)6-15(18)23/h4-7,12,24H,2-3,8-9H2,1H3
InChIKeyJXZSHBBFTPLMIJ-UHFFFAOYSA-N
XLogP4.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.72
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine 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

2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
CID 116927908
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
2-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104637578
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 66422945
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
ethyl 5-bromo-2-methyl-1-(morpholin-2-ylmethyl)pyrrole-3-carboxylate
CID 168952545
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
(2S)-2-[[2-(4-bromo-2,3,6-trifluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;hydrochloride
CID 162374967

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine?
The IUPAC name of 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine (CID 162729033) is 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine is Cc1cc2nc(-c3c(F)cc(Br)cc3Cl)n(CC3CNCCO3)c2cc1F.
What is the InChIKey of 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine?
The InChIKey is JXZSHBBFTPLMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClF2N3O/c1-10-4-16-17(7-14(10)22)26(9-12-8-24-2-3-27-12)19(25-16)18-13(21)5-11(20)6-15(18)23/h4-7,12,24H,2-3,8-9H2,1H3.
What are the key properties of 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine?
2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine has a molecular weight of 456.72 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 162729033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).