4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide

C22H22ClF3N4O2 — CID 21100862

IUPAC4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C22H22ClF3N4O2/c23-17-12-16(22(24,25)26)13-18-19(17)29-20(28-18)14-2-4-15(5-3-14)21(31)27-6-1-7-30-8-10-32-11-9-30/h2-5,12-13H,1,6-11H2,(H,27,31)(H,28,29)
InChIKeyWFSRRYGDKITHOO-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.35
Rot. Bonds6

About 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide

4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21100862) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21100862
Molecular FormulaC22H22ClF3N4O2
Molecular Weight466.89 g/mol
Exact Mass466.14
IUPAC Name4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C22H22ClF3N4O2/c23-17-12-16(22(24,25)26)13-18-19(17)29-20(28-18)14-2-4-15(5-3-14)21(31)27-6-1-7-30-8-10-32-11-9-30/h2-5,12-13H,1,6-11H2,(H,27,31)(H,28,29)
InChIKeyWFSRRYGDKITHOO-UHFFFAOYSA-N
XLogP4.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101111
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 130237641
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100937
4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 21101044
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]phenyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 141362409
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 21100862) is 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is WFSRRYGDKITHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-17-12-16(22(24,25)26)13-18-19(17)29-20(28-18)14-2-4-15(5-3-14)21(31)27-6-1-7-30-8-10-32-11-9-30/h2-5,12-13H,1,6-11H2,(H,27,31)(H,28,29).
What are the key properties of 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 466.89 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21100862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).