N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide

C28H28F3N5O3 — CID 91496150

IUPACN-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide
SMILESO=C(NCCC1CNCCO1)c1ccc2c(c1)ncn2-c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C28H28F3N5O3/c29-28(30,31)39-23-8-1-19(2-9-23)16-34-21-4-6-22(7-5-21)36-18-35-25-15-20(3-10-26(25)36)27(37)33-12-11-24-17-32-13-14-38-24/h1-10,15,18,24,32,34H,11-14,16-17H2,(H,33,37)
InChIKeyOJHWKNWLDRZPPG-UHFFFAOYSA-N
MW539.56 g/mol
LogP4.64
Rot. Bonds9

About N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide

N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide (PubChem CID 91496150) has the molecular formula C28H28F3N5O3 and a molecular weight of 539.56 g/mol. Its IUPAC name is N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide
PubChem CID91496150
Molecular FormulaC28H28F3N5O3
Molecular Weight539.56 g/mol
Exact Mass539.21
IUPAC NameN-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide
SMILESO=C(NCCC1CNCCO1)c1ccc2c(c1)ncn2-c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C28H28F3N5O3/c29-28(30,31)39-23-8-1-19(2-9-23)16-34-21-4-6-22(7-5-21)36-18-35-25-15-20(3-10-26(25)36)27(37)33-12-11-24-17-32-13-14-38-24/h1-10,15,18,24,32,34H,11-14,16-17H2,(H,33,37)
InChIKeyOJHWKNWLDRZPPG-UHFFFAOYSA-N
XLogP4.64
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
1-[4-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 67011702
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide
CID 90047227
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(trifluoromethoxy)benzimidazol-1-yl]phenyl]urea
CID 130424519
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11238430
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide (CID 91496150) is N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide is O=C(NCCC1CNCCO1)c1ccc2c(c1)ncn2-c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide?
The InChIKey is OJHWKNWLDRZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O3/c29-28(30,31)39-23-8-1-19(2-9-23)16-34-21-4-6-22(7-5-21)36-18-35-25-15-20(3-10-26(25)36)27(37)33-12-11-24-17-32-13-14-38-24/h1-10,15,18,24,32,34H,11-14,16-17H2,(H,33,37).
What are the key properties of N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide?
N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-2-ylethyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 91496150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).