4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide

C21H23FN4O2 — CID 4859341

IUPAC4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CCN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN4O2/c1-25-19-7-6-17(23-21(27)15-2-4-16(22)5-3-15)14-18(19)24-20(25)8-9-26-10-12-28-13-11-26/h2-7,14H,8-13H2,1H3,(H,23,27)
InChIKeyLLSDYQOMOVQPOZ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.84
Rot. Bonds5

About 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide

4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide (PubChem CID 4859341) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
PubChem CID4859341
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CCN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN4O2/c1-25-19-7-6-17(23-21(27)15-2-4-16(22)5-3-15)14-18(19)24-20(25)8-9-26-10-12-28-13-11-26/h2-7,14H,8-13H2,1H3,(H,23,27)
InChIKeyLLSDYQOMOVQPOZ-UHFFFAOYSA-N
XLogP2.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25190501
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CID 25190503
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CID 25190505
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CID 25190507
CID 25190507
CID 25190539
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CID 44143497
CID 44143497

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide (CID 4859341) is 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide is Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
The InChIKey is LLSDYQOMOVQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-25-19-7-6-17(23-21(27)15-2-4-16(22)5-3-15)14-18(19)24-20(25)8-9-26-10-12-28-13-11-26/h2-7,14H,8-13H2,1H3,(H,23,27).
What are the key properties of 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide?
4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 4859341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).