[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone

C19H21F2N3O2 — CID 155961412

IUPAC[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone
SMILESCc1nc2c([nH]1)CCCC2C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H21F2N3O2/c1-11-22-16-4-2-3-13(18(16)23-11)19(25)24-7-8-26-17(10-24)12-5-6-14(20)15(21)9-12/h5-6,9,13,17H,2-4,7-8,10H2,1H3,(H,22,23)
InChIKeyVPTQKJPXZXSLLA-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.02
Rot. Bonds2

About [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone

[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone (PubChem CID 155961412) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone
PubChem CID155961412
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone
SMILESCc1nc2c([nH]1)CCCC2C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H21F2N3O2/c1-11-22-16-4-2-3-13(18(16)23-11)19(25)24-7-8-26-17(10-24)12-5-6-14(20)15(21)9-12/h5-6,9,13,17H,2-4,7-8,10H2,1H3,(H,22,23)
InChIKeyVPTQKJPXZXSLLA-UHFFFAOYSA-N
XLogP3.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120930576
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
CID 119769794
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 126808566
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
CID 172888533
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone (CID 155961412) is [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone is Cc1nc2c([nH]1)CCCC2C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone?
The InChIKey is VPTQKJPXZXSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-22-16-4-2-3-13(18(16)23-11)19(25)24-7-8-26-17(10-24)12-5-6-14(20)15(21)9-12/h5-6,9,13,17H,2-4,7-8,10H2,1H3,(H,22,23).
What are the key properties of [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone?
[2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone has a molecular weight of 361.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)morpholin-4-yl]-(2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 155961412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).