4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine

C19H18Cl2FN3O — CID 56959380

IUPAC4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2FN3O/c1-12-23-19-16(22)9-14(24-5-7-26-8-6-24)10-17(19)25(12)11-13-3-2-4-15(20)18(13)21/h2-4,9-10H,5-8,11H2,1H3
InChIKeyPZRLTOKNZPVLIF-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.68
Rot. Bonds3

About 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine

4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine (PubChem CID 56959380) has the molecular formula C19H18Cl2FN3O and a molecular weight of 394.28 g/mol. Its IUPAC name is 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine
PubChem CID56959380
Molecular FormulaC19H18Cl2FN3O
Molecular Weight394.28 g/mol
Exact Mass393.08
IUPAC Name4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2FN3O/c1-12-23-19-16(22)9-14(24-5-7-26-8-6-24)10-17(19)25(12)11-13-3-2-4-15(20)18(13)21/h2-4,9-10H,5-8,11H2,1H3
InChIKeyPZRLTOKNZPVLIF-UHFFFAOYSA-N
XLogP4.68
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine (CID 56959380) is 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine is Cc1nc2c(F)cc(N3CCOCC3)cc2n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine?
The InChIKey is PZRLTOKNZPVLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O/c1-12-23-19-16(22)9-14(24-5-7-26-8-6-24)10-17(19)25(12)11-13-3-2-4-15(20)18(13)21/h2-4,9-10H,5-8,11H2,1H3.
What are the key properties of 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine?
4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine has a molecular weight of 394.28 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 56959380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).