N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H25F3N4O4 — CID 126688421

IUPACN-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCC(CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H25F3N4O4/c1-2-17(8-10-32)31-20-7-6-18(30-9-11-35-14-21(30)33)13-19(20)28-23(31)29-22(34)15-4-3-5-16(12-15)24(25,26)27/h3-7,12-13,17,32H,2,8-11,14H2,1H3,(H,28,29,34)
InChIKeyNDAOPPYHDUDRQW-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.00
Rot. Bonds7

About N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126688421) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126688421
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCC(CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21
InChIInChI=1S/C24H25F3N4O4/c1-2-17(8-10-32)31-20-7-6-18(30-9-11-35-14-21(30)33)13-19(20)28-23(31)29-22(34)15-4-3-5-16(12-15)24(25,26)27/h3-7,12-13,17,32H,2,8-11,14H2,1H3,(H,28,29,34)
InChIKeyNDAOPPYHDUDRQW-UHFFFAOYSA-N
XLogP4.00
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,2-dimethylpropanoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10207985
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 2837113
N-(3-(1-(6-(2-hydroxyethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 15949889
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-3-methylbenzamide
CID 44588793
N-(3-(1-(6-(2-methoxyethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 46880098
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 72703789
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzamide
CID 665995
4-fluoro-N-[1-methyl-2-(piperidin-1-ylmethyl)-1H-benzimidazol-5-yl]benzamide
CID 667279
4-fluoro-N-[1-methyl-2-(4-morpholinylmethyl)-1H-benzimidazol-5-yl]benzamide
CID 1251870
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]benzamide
CID 2968676
Ethyl 4-{[5-(3-methylbenzamido)-1-(propan-2-YL)-1H-1,3-benzodiazol-2-YL]methyl}piperazine-1-carboxylate
CID 16015036
Ethyl 4-{[5-(4-fluorobenzamido)-1-(propan-2-YL)-1H-1,3-benzodiazol-2-YL]methyl}piperazine-1-carboxylate
CID 16015064

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126688421) is N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CCC(CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.
What is the InChIKey of N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NDAOPPYHDUDRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-2-17(8-10-32)31-20-7-6-18(30-9-11-35-14-21(30)33)13-19(20)28-23(31)29-22(34)15-4-3-5-16(12-15)24(25,26)27/h3-7,12-13,17,32H,2,8-11,14H2,1H3,(H,28,29,34).
What are the key properties of N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 490.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).