4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine

C17H15F2N3O — CID 139009416

IUPAC4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3nc4ccccc4[nH]3)CCO2)c(F)c1
InChIInChI=1S/C17H15F2N3O/c18-11-5-6-12(13(19)9-11)16-10-22(7-8-23-16)17-20-14-3-1-2-4-15(14)21-17/h1-6,9,16H,7-8,10H2,(H,20,21)
InChIKeyLJBMQSRSRAWSAW-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.42
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine

4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine (PubChem CID 139009416) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
PubChem CID139009416
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
SMILESFc1ccc(C2CN(c3nc4ccccc4[nH]3)CCO2)c(F)c1
InChIInChI=1S/C17H15F2N3O/c18-11-5-6-12(13(19)9-11)16-10-22(7-8-23-16)17-20-14-3-1-2-4-15(14)21-17/h1-6,9,16H,7-8,10H2,(H,20,21)
InChIKeyLJBMQSRSRAWSAW-UHFFFAOYSA-N
XLogP3.42
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-(2-chlorophenyl)morpholine
CID 133410094
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
CID 133410828
(2S)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-phenylmorpholine
CID 71608558
(2R)-4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-phenylmorpholine
CID 66575667
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
N-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)morpholine-4-carboxamide
CID 126783807
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
2-[4-[1-(2,4-difluorophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole
CID 86892522
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)morpholine-4-carboxamide
CID 126771204
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine (CID 139009416) is 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine is Fc1ccc(C2CN(c3nc4ccccc4[nH]3)CCO2)c(F)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine?
The InChIKey is LJBMQSRSRAWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-11-5-6-12(13(19)9-11)16-10-22(7-8-23-16)17-20-14-3-1-2-4-15(14)21-17/h1-6,9,16H,7-8,10H2,(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine?
4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine has a molecular weight of 315.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine is sourced from PubChem (CID 139009416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).