N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide

C20H27F2N3O2 — CID 139487068

IUPACN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C)C1CC1
InChIInChI=1S/C20H27F2N3O2/c1-19(2,3)25-15-10-13(27-17(21)22)8-9-14(15)23-18(25)24-16(26)11-20(4,5)12-6-7-12/h8-10,12,17H,6-7,11H2,1-5H3,(H,23,24,26)
InChIKeyGZKNTZAOQAPFPQ-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.16
Rot. Bonds6

About N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide

N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide (PubChem CID 139487068) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide
PubChem CID139487068
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC NameN-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C)C1CC1
InChIInChI=1S/C20H27F2N3O2/c1-19(2,3)25-15-10-13(27-17(21)22)8-9-14(15)23-18(25)24-16(26)11-20(4,5)12-6-7-12/h8-10,12,17H,6-7,11H2,1-5H3,(H,23,24,26)
InChIKeyGZKNTZAOQAPFPQ-UHFFFAOYSA-N
XLogP5.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
CID 139451763
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
CID 139451769
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 139451780
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451795
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclobutanecarboxamide
CID 139451784
N-(6-phenoxy-1H-benzimidazol-2-yl)cyclopropanecarboxamide
CID 118709943
6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318393
5-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 118318429
6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
CID 118318568
1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
CID 118318609

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide?
The IUPAC name of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide (CID 139487068) is N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide.
What is the SMILES notation for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide?
The canonical SMILES for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide is CC(C)(CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C(C)(C)C)C1CC1.
What is the InChIKey of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide?
The InChIKey is GZKNTZAOQAPFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-19(2,3)25-15-10-13(27-17(21)22)8-9-14(15)23-18(25)24-16(26)11-20(4,5)12-6-7-12/h8-10,12,17H,6-7,11H2,1-5H3,(H,23,24,26).
What are the key properties of N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide?
N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide has a molecular weight of 379.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-6-(difluoromethoxy)benzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide is sourced from PubChem (CID 139487068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).