N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide

C14H7F12N3O — CID 4099430

IUPACN-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H7F12N3O/c15-7(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)8(30)29-9-27-5-3-1-2-4-6(5)28-9/h1-4,7H,(H2,27,28,29,30)
InChIKeyURFZLRBJUKGZOO-UHFFFAOYSA-N
MW461.21 g/mol
LogP4.94
Rot. Bonds7

About N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide

N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (PubChem CID 4099430) has the molecular formula C14H7F12N3O and a molecular weight of 461.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
PubChem CID4099430
Molecular FormulaC14H7F12N3O
Molecular Weight461.21 g/mol
Exact Mass461.04
IUPAC NameN-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H7F12N3O/c15-7(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)8(30)29-9-27-5-3-1-2-4-6(5)28-9/h1-4,7H,(H2,27,28,29,30)
InChIKeyURFZLRBJUKGZOO-UHFFFAOYSA-N
XLogP4.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.21
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide 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

N-(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3513689
N-(4-anilinophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4120974
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(4-phenyldiazenylphenyl)nonanamide
CID 5062321
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1-(1H-benzimidazol-2-yl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 166873254
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
CID 7008854

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (CID 4099430) is N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide is O=C(Nc1nc2ccccc2[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The InChIKey is URFZLRBJUKGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F12N3O/c15-7(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)8(30)29-9-27-5-3-1-2-4-6(5)28-9/h1-4,7H,(H2,27,28,29,30).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide has a molecular weight of 461.21 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide is sourced from PubChem (CID 4099430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).