[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate

C24H15F3N4O5 — CID 87532665

IUPAC[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
SMILESO=C(Nc1nc2ccc(C(=O)c3ccccc3NC(=O)c3ccccc3)cc2[nH]1)OC(=O)C(F)(F)F
InChIInChI=1S/C24H15F3N4O5/c25-24(26,27)21(34)36-23(35)31-22-29-17-11-10-14(12-18(17)30-22)19(32)15-8-4-5-9-16(15)28-20(33)13-6-2-1-3-7-13/h1-12H,(H,28,33)(H2,29,30,31,35)
InChIKeyHKRQXMFOGFCVSQ-UHFFFAOYSA-N
MW496.40 g/mol
LogP4.68
Rot. Bonds5

About [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate

[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate (PubChem CID 87532665) has the molecular formula C24H15F3N4O5 and a molecular weight of 496.40 g/mol. Its IUPAC name is [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
PubChem CID87532665
Molecular FormulaC24H15F3N4O5
Molecular Weight496.40 g/mol
Exact Mass496.10
IUPAC Name[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
SMILESO=C(Nc1nc2ccc(C(=O)c3ccccc3NC(=O)c3ccccc3)cc2[nH]1)OC(=O)C(F)(F)F
InChIInChI=1S/C24H15F3N4O5/c25-24(26,27)21(34)36-23(35)31-22-29-17-11-10-14(12-18(17)30-22)19(32)15-8-4-5-9-16(15)28-20(33)13-6-2-1-3-7-13/h1-12H,(H,28,33)(H2,29,30,31,35)
InChIKeyHKRQXMFOGFCVSQ-UHFFFAOYSA-N
XLogP4.68
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[6-[2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90879930
benzyl 2-[2-(methoxycarbonylamino)-3H-benzimidazole-5-carbonyl]benzoate
CID 67044728
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl N-[6-[2-[(5-bromo-2-methylphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 90833199
[6-[2-[(5-chloro-2,4-difluorophenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67376754
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
methyl N-[6-[2-[(3-methoxyphenyl)carbamoyl]benzoyl]-1H-benzimidazol-2-yl]carbamate
CID 91428587
[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91254377
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
CID 126822242
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517

Frequently Asked Questions

What is the IUPAC name of [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate?
The IUPAC name of [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate (CID 87532665) is [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate?
The canonical SMILES for [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate is O=C(Nc1nc2ccc(C(=O)c3ccccc3NC(=O)c3ccccc3)cc2[nH]1)OC(=O)C(F)(F)F.
What is the InChIKey of [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate?
The InChIKey is HKRQXMFOGFCVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O5/c25-24(26,27)21(34)36-23(35)31-22-29-17-11-10-14(12-18(17)30-22)19(32)15-8-4-5-9-16(15)28-20(33)13-6-2-1-3-7-13/h1-12H,(H,28,33)(H2,29,30,31,35).
What are the key properties of [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate?
[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate has a molecular weight of 496.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87532665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).