N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride

C21H25Cl2FN4O — CID 119891004

IUPACN-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H23FN4O.2ClH/c1-13-5-6-14(10-17(13)25-21(27)15-4-3-9-23-12-15)20-24-18-11-16(22)7-8-19(18)26(20)2;;/h5-8,10-11,15,23H,3-4,9,12H2,1-2H3,(H,25,27);2*1H
InChIKeySSRGIGISNZTRFN-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.47
Rot. Bonds3

About N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride

N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119891004) has the molecular formula C21H25Cl2FN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119891004
Molecular FormulaC21H25Cl2FN4O
Molecular Weight439.36 g/mol
Exact Mass438.14
IUPAC NameN-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H23FN4O.2ClH/c1-13-5-6-14(10-17(13)25-21(27)15-4-3-9-23-12-15)20-24-18-11-16(22)7-8-19(18)26(20)2;;/h5-8,10-11,15,23H,3-4,9,12H2,1-2H3,(H,25,27);2*1H
InChIKeySSRGIGISNZTRFN-UHFFFAOYSA-N
XLogP4.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
3-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119890966
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
(2S)-2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-4-methylpentanamide
CID 119891049
2-amino-N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 119891017
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-[4-(1-methylbenzimidazol-2-yl)phenyl]azepane-4-carboxamide
CID 167936099

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride (CID 119891004) is N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride is Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is SSRGIGISNZTRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O.2ClH/c1-13-5-6-14(10-17(13)25-21(27)15-4-3-9-23-12-15)20-24-18-11-16(22)7-8-19(18)26(20)2;;/h5-8,10-11,15,23H,3-4,9,12H2,1-2H3,(H,25,27);2*1H.
What are the key properties of N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride?
N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 439.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119891004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).