4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide

C21H23FN4O — CID 667279

IUPAC4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN4O/c1-25-19-10-9-17(23-21(27)15-5-7-16(22)8-6-15)13-18(19)24-20(25)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)
InChIKeyNCLAPJWDGKNLOB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.95
Rot. Bonds4

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

4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide (PubChem CID 667279) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
PubChem CID667279
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
SMILESCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H23FN4O/c1-25-19-10-9-17(23-21(27)15-5-7-16(22)8-6-15)13-18(19)24-20(25)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)
InChIKeyNCLAPJWDGKNLOB-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide (CID 667279) is 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide is Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide?
The InChIKey is NCLAPJWDGKNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25-19-10-9-17(23-21(27)15-5-7-16(22)8-6-15)13-18(19)24-20(25)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27).
What are the key properties of 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide?
4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 667279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).