N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C19H21F3N4O2 — CID 139487158

IUPACN-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCOc1cc(C#N)cc2c1nc(NC(=O)CC1(C(F)(F)F)CC1)n2C(C)(C)C
InChIInChI=1S/C19H21F3N4O2/c1-17(2,3)26-12-7-11(10-23)8-13(28-4)15(12)25-16(26)24-14(27)9-18(5-6-18)19(20,21)22/h7-8H,5-6,9H2,1-4H3,(H,24,25,27)
InChIKeyWNBNXSYMBUPFSL-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.34
Rot. Bonds4

About N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 139487158) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID139487158
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCOc1cc(C#N)cc2c1nc(NC(=O)CC1(C(F)(F)F)CC1)n2C(C)(C)C
InChIInChI=1S/C19H21F3N4O2/c1-17(2,3)26-12-7-11(10-23)8-13(28-4)15(12)25-16(26)24-14(27)9-18(5-6-18)19(20,21)22/h7-8H,5-6,9H2,1-4H3,(H,24,25,27)
InChIKeyWNBNXSYMBUPFSL-UHFFFAOYSA-N
XLogP4.34
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 139487158) is N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide is COc1cc(C#N)cc2c1nc(NC(=O)CC1(C(F)(F)F)CC1)n2C(C)(C)C.
What is the InChIKey of N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is WNBNXSYMBUPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-17(2,3)26-12-7-11(10-23)8-13(28-4)15(12)25-16(26)24-14(27)9-18(5-6-18)19(20,21)22/h7-8H,5-6,9H2,1-4H3,(H,24,25,27).
What are the key properties of N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-6-cyano-4-methoxybenzimidazol-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 139487158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).