N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide — IUPAC name, SMILES, InChIKey & properties

Name: N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide

N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (PubChem CID 159261419) has the molecular formula C88H108F13N15O5 and a molecular weight of 1702.91 g/mol. Its IUPAC name is N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name	N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
PubChem CID	159261419
Molecular Formula	C88H108F13N15O5
Molecular Weight	1702.91 g/mol
Exact Mass	1701.85
IUPAC Name	N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide
SMILES	CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C(C)(C)C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)ccc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)ccc21.CC1(CC(=O)Nc2nc3cc(F)cc(F)c3n2C(C)(C)C)CC1.CC1(CC(=O)Nc2nc3cc(F)ccc3n2C2(C)CCC2)CC1
InChI	InChI=1S/2C18H21F4N3O.C18H22FN3O.C17H21F2N3O.C17H23F2N3O/c21-16(2,3)25-13-6-5-11(19)8-12(13)23-15(25)24-14(26)7-10-9-18(21,22)17(10,4)20;1-17(8-9-17)11-15(23)21-16-20-13-10-12(19)4-5-14(13)22(16)18(2)6-3-7-18;1-16(2,3)22-14-11(19)7-10(18)8-12(14)20-15(22)21-13(23)9-17(4)5-6-17;1-16(2,3)9-13(23)21-15-20-12-8-10(18)7-11(19)14(12)22(15)17(4,5)6/h25-6,8,10H,7,9H2,1-4H3,(H,23,24,26);4-5,10H,3,6-9,11H2,1-2H3,(H,20,21,23);7-8H,5-6,9H2,1-4H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23)
InChIKey	KWODGKXHHCRHKL-UHFFFAOYSA-N
XLogP	22.13
TPSA	234.60 Å²
H-Bond Donors	5
H-Bond Acceptors	15
Rotatable Bonds	15
Heavy Atoms	121
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.91
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Analyze N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The IUPAC name of N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide (CID 159261419) is N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide.

What is the SMILES notation for N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The canonical SMILES for N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is CC(C)(C)CC(=O)Nc1nc2cc(F)cc(F)c2n1C(C)(C)C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)ccc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)ccc21.CC1(CC(=O)Nc2nc3cc(F)cc(F)c3n2C(C)(C)C)CC1.CC1(CC(=O)Nc2nc3cc(F)ccc3n2C2(C)CCC2)CC1.

What is the InChIKey of N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

The InChIKey is KWODGKXHHCRHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21F4N3O.C18H22FN3O.C17H21F2N3O.C17H23F2N3O/c2*1-16(2,3)25-13-6-5-11(19)8-12(13)23-15(25)24-14(26)7-10-9-18(21,22)17(10,4)20;1-17(8-9-17)11-15(23)21-16-20-13-10-12(19)4-5-14(13)22(16)18(2)6-3-7-18;1-16(2,3)22-14-11(19)7-10(18)8-12(14)20-15(22)21-13(23)9-17(4)5-6-17;1-16(2,3)9-13(23)21-15-20-12-8-10(18)7-11(19)14(12)22(15)17(4,5)6/h2*5-6,8,10H,7,9H2,1-4H3,(H,23,24,26);4-5,10H,3,6-9,11H2,1-2H3,(H,20,21,23);7-8H,5-6,9H2,1-4H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23).

What are the key properties of N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide?

Where does this data come from?

All data for N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-5,7-difluorobenzimidazol-2-yl)-2-(1-methylcyclopropyl)acetamide;bis(N-(1-tert-butyl-5-fluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);N-[5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-2-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 159261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).