N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine

C19H11F6N3O — CID 155532567

IUPACN-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(C(F)(F)F)cc3nc4ccccc4n23)cc1
InChIInChI=1S/C19H11F6N3O/c20-18(21,22)11-9-16(26-12-5-7-13(8-6-12)29-19(23,24)25)28-15-4-2-1-3-14(15)27-17(28)10-11/h1-10,26H
InChIKeyLJXOHNKSBUGFRH-UHFFFAOYSA-N
MW411.31 g/mol
LogP6.15
Rot. Bonds3

About N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine

N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine (PubChem CID 155532567) has the molecular formula C19H11F6N3O and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine
PubChem CID155532567
Molecular FormulaC19H11F6N3O
Molecular Weight411.31 g/mol
Exact Mass411.08
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(C(F)(F)F)cc3nc4ccccc4n23)cc1
InChIInChI=1S/C19H11F6N3O/c20-18(21,22)11-9-16(26-12-5-7-13(8-6-12)29-19(23,24)25)28-15-4-2-1-3-14(15)27-17(28)10-11/h1-10,26H
InChIKeyLJXOHNKSBUGFRH-UHFFFAOYSA-N
XLogP6.15
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.31
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine (CID 155532567) is N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine is FC(F)(F)Oc1ccc(Nc2cc(C(F)(F)F)cc3nc4ccccc4n23)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine?
The InChIKey is LJXOHNKSBUGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N3O/c20-18(21,22)11-9-16(26-12-5-7-13(8-6-12)29-19(23,24)25)28-15-4-2-1-3-14(15)27-17(28)10-11/h1-10,26H.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine?
N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine has a molecular weight of 411.31 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine is sourced from PubChem (CID 155532567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).