N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide

N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (PubChem CID 161288302) has the molecular formula C79H79ClF17N15O4 and a molecular weight of 1661.02 g/mol. Its IUPAC name is N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name	N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
PubChem CID	161288302
Molecular Formula	C79H79ClF17N15O4
Molecular Weight	1661.02 g/mol
Exact Mass	1659.59
IUPAC Name	N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide
SMILES	CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(Cl)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(C#N)c32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(C#N)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1F
InChI	InChI=1S/C20H19F5N4O.2C20H20F4N4O.C19H20ClF4N3O/c1-18(5-4-6-18)29-16-14(22)12(26-3)8-11(21)15(16)28-17(29)27-13(30)7-10-9-20(24,25)19(10,2)23;21-18(4-3-5-18)28-16-11(10-25)6-13(21)8-14(16)26-17(28)27-15(29)7-12-9-20(23,24)19(12,2)22;1-17(4-3-5-17)27-14-7-11(20)12(21)8-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22/h8,10H,4-7,9H2,1-2H3,(H,27,28,30);26,8,12H,3-5,7,9H2,1-2H3,(H,26,27,29);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28)
InChIKey	VFZZGFVTLPRLGH-UHFFFAOYSA-N
XLogP	20.23
TPSA	239.62 Å²
H-Bond Donors	4
H-Bond Acceptors	14
Rotatable Bonds	16
Heavy Atoms	116
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1661.02
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Analyze N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The IUPAC name of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide (CID 161288302) is N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide.

What is the SMILES notation for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The canonical SMILES for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(Cl)cc32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(C#N)c32)CCC1.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)cc(C#N)c32)CCC1.[C-]#[N+]c1cc(F)c2nc(NC(=O)CC3CC(F)(F)C3(C)F)n(C3(C)CCC3)c2c1F.

What is the InChIKey of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

The InChIKey is VFZZGFVTLPRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O.2C20H20F4N4O.C19H20ClF4N3O/c1-18(5-4-6-18)29-16-14(22)12(26-3)8-11(21)15(16)28-17(29)27-13(30)7-10-9-20(24,25)19(10,2)23;2*1-18(4-3-5-18)28-16-11(10-25)6-13(21)8-14(16)26-17(28)27-15(29)7-12-9-20(23,24)19(12,2)22;1-17(4-3-5-17)27-14-7-11(20)12(21)8-13(14)25-16(27)26-15(28)6-10-9-19(23,24)18(10,2)22/h8,10H,4-7,9H2,1-2H3,(H,27,28,30);2*6,8,12H,3-5,7,9H2,1-2H3,(H,26,27,29);7-8,10H,3-6,9H2,1-2H3,(H,25,26,28).

What are the key properties of N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide?

Where does this data come from?

All data for N-[6-chloro-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[4,7-difluoro-6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide is sourced from PubChem (CID 161288302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).