1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

C24H18F4N4O — CID 165142575

IUPAC1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1ccc3nc[nH]c3c1)CC2
InChIInChI=1S/C24H18F4N4O/c25-18-9-17(24(26,27)28)10-19(11-18)31-23(33)16-3-2-15-5-6-32(22(15)8-16)12-14-1-4-20-21(7-14)30-13-29-20/h1-4,7-11,13H,5-6,12H2,(H,29,30)(H,31,33)
InChIKeyUGKRTKVLKQRHCY-UHFFFAOYSA-N
MW454.43 g/mol
LogP5.54
Rot. Bonds4

About 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide

1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (PubChem CID 165142575) has the molecular formula C24H18F4N4O and a molecular weight of 454.43 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
PubChem CID165142575
Molecular FormulaC24H18F4N4O
Molecular Weight454.43 g/mol
Exact Mass454.14
IUPAC Name1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1ccc3nc[nH]c3c1)CC2
InChIInChI=1S/C24H18F4N4O/c25-18-9-17(24(26,27)28)10-19(11-18)31-23(33)16-3-2-15-5-6-32(22(15)8-16)12-14-1-4-20-21(7-14)30-13-29-20/h1-4,7-11,13H,5-6,12H2,(H,29,30)(H,31,33)
InChIKeyUGKRTKVLKQRHCY-UHFFFAOYSA-N
XLogP5.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.43
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-2,3-dihydroindole-6-carboxamide
CID 165142612
1-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142740
1-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrimidin-5-yl]methyl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 170558583
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142581
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142586
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-pyrimidin-5-yl-2,3-dihydroindole-6-carboxamide
CID 165142502

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide (CID 165142575) is 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccc2c(c1)N(Cc1ccc3nc[nH]c3c1)CC2.
What is the InChIKey of 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
The InChIKey is UGKRTKVLKQRHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O/c25-18-9-17(24(26,27)28)10-19(11-18)31-23(33)16-3-2-15-5-6-32(22(15)8-16)12-14-1-4-20-21(7-14)30-13-29-20/h1-4,7-11,13H,5-6,12H2,(H,29,30)(H,31,33).
What are the key properties of 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide?
1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-ylmethyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 165142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).