N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C19H18F3N3O2 — CID 162664028

IUPACN-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCn1c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C19H18F3N3O2/c1-2-11-25-16-6-4-3-5-15(16)23-18(25)24-17(26)12-13-7-9-14(10-8-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,26)
InChIKeyGYJXXMUJBDQNFW-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.53
Rot. Bonds6

About N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 162664028) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID162664028
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCn1c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C19H18F3N3O2/c1-2-11-25-16-6-4-3-5-15(16)23-18(25)24-17(26)12-13-7-9-14(10-8-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,26)
InChIKeyGYJXXMUJBDQNFW-UHFFFAOYSA-N
XLogP4.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 162664028) is N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CCCn1c(NC(=O)Cc2ccc(OC(F)(F)F)cc2)nc2ccccc21.
What is the InChIKey of N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GYJXXMUJBDQNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-2-11-25-16-6-4-3-5-15(16)23-18(25)24-17(26)12-13-7-9-14(10-8-13)27-19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,24,26).
What are the key properties of N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 162664028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).