5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid

C25H19F3N4O4 — CID 44527043

IUPAC5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H18N4O2.C2HF3O2/c1-29-17-8-10-18-15(11-17)12-21(25-18)23(28)24-16-7-9-19-20(13-16)27-22(26-19)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-13,25H,1H3,(H,24,28)(H,26,27);(H,6,7)
InChIKeyLDVDSTJEPBXTTB-UHFFFAOYSA-N
MW496.45 g/mol
LogP5.61
Rot. Bonds4

About 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid

5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44527043) has the molecular formula C25H19F3N4O4 and a molecular weight of 496.45 g/mol. Its IUPAC name is 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44527043
Molecular FormulaC25H19F3N4O4
Molecular Weight496.45 g/mol
Exact Mass496.14
IUPAC Name5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H18N4O2.C2HF3O2/c1-29-17-8-10-18-15(11-17)12-21(25-18)23(28)24-16-7-9-19-20(13-16)27-22(26-19)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-13,25H,1H3,(H,24,28)(H,26,27);(H,6,7)
InChIKeyLDVDSTJEPBXTTB-UHFFFAOYSA-N
XLogP5.61
TPSA120.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.45
LogP ≤ 55.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide
CID 24798659
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44527043) is 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc2[nH]c(C(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LDVDSTJEPBXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C2HF3O2/c1-29-17-8-10-18-15(11-17)12-21(25-18)23(28)24-16-7-9-19-20(13-16)27-22(26-19)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-13,25H,1H3,(H,24,28)(H,26,27);(H,6,7).
What are the key properties of 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid?
5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 496.45 g/mol, XLogP of 5.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44527043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).