N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide

C20H20F2N4O3 — CID 15989982

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C20H20F2N4O3/c1-24-16-10-14(23-19(27)18-12(21)4-3-5-13(18)22)15(26-6-8-29-9-7-26)11-17(16)25(2)20(24)28/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)
InChIKeyHURKKPMKXWJNHC-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.24
Rot. Bonds3

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide (PubChem CID 15989982) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
PubChem CID15989982
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3c(F)cccc3F)cc21
InChIInChI=1S/C20H20F2N4O3/c1-24-16-10-14(23-19(27)18-12(21)4-3-5-13(18)22)15(26-6-8-29-9-7-26)11-17(16)25(2)20(24)28/h3-5,10-11H,6-9H2,1-2H3,(H,23,27)
InChIKeyHURKKPMKXWJNHC-UHFFFAOYSA-N
XLogP2.24
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44573689
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(S)-4-fluoro-N-(1-(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide (CID 15989982) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3c(F)cccc3F)cc21.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
The InChIKey is HURKKPMKXWJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-24-16-10-14(23-19(27)18-12(21)4-3-5-13(18)22)15(26-6-8-29-9-7-26)11-17(16)25(2)20(24)28/h3-5,10-11H,6-9H2,1-2H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide has a molecular weight of 402.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 15989982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).