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

C20H21FN4O3 — CID 24789802

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN4O3/c1-23-17-11-15(22-19(26)13-3-5-14(21)6-4-13)16(25-7-9-28-10-8-25)12-18(17)24(2)20(23)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)
InChIKeyWLXCDVJPBRGACZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.11
Rot. Bonds3

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

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 24789802) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID24789802
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN4O3/c1-23-17-11-15(22-19(26)13-3-5-14(21)6-4-13)16(25-7-9-28-10-8-25)12-18(17)24(2)20(23)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)
InChIKeyWLXCDVJPBRGACZ-UHFFFAOYSA-N
XLogP2.11
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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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)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (CID 24789802) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is WLXCDVJPBRGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-23-17-11-15(22-19(26)13-3-5-14(21)6-4-13)16(25-7-9-28-10-8-25)12-18(17)24(2)20(23)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 384.41 g/mol, XLogP of 2.11, 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)-4-fluorobenzamide is sourced from PubChem (CID 24789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).