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

C23H25F3N4O2 — CID 21101111

IUPAC3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15-13-16(22(31)27-7-2-8-30-9-11-32-12-10-30)3-5-18(15)21-28-19-6-4-17(23(24,25)26)14-20(19)29-21/h3-6,13-14H,2,7-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyCVTUWMNCSGOIOI-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.01
Rot. Bonds6

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

3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (PubChem CID 21101111) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
PubChem CID21101111
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15-13-16(22(31)27-7-2-8-30-9-11-32-12-10-30)3-5-18(15)21-28-19-6-4-17(23(24,25)26)14-20(19)29-21/h3-6,13-14H,2,7-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyCVTUWMNCSGOIOI-UHFFFAOYSA-N
XLogP4.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.01
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

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-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100862
4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100801
N-(3-aminopropyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101100
3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
CID 134084462
N-[3-(diethylamino)propyl]-3-ethoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101104
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (CID 21101111) is 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is Cc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is CVTUWMNCSGOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-15-13-16(22(31)27-7-2-8-30-9-11-32-12-10-30)3-5-18(15)21-28-19-6-4-17(23(24,25)26)14-20(19)29-21/h3-6,13-14H,2,7-12H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 446.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 21101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).