N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide

C19H16F3N5O3 — CID 155083739

IUPACN-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21
InChIInChI=1S/C19H16F3N5O3/c1-27-14-5-2-10(16(29)23-6-7-28)8-13(14)24-17(27)26-18-25-12-4-3-11(19(20,21)22)9-15(12)30-18/h2-5,8-9,28H,6-7H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyFKSABAHHINKMFI-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.20
Rot. Bonds5

About N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide

N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide (PubChem CID 155083739) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
PubChem CID155083739
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC NameN-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
SMILESCn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21
InChIInChI=1S/C19H16F3N5O3/c1-27-14-5-2-10(16(29)23-6-7-28)8-13(14)24-17(27)26-18-25-12-4-3-11(19(20,21)22)9-15(12)30-18/h2-5,8-9,28H,6-7H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyFKSABAHHINKMFI-UHFFFAOYSA-N
XLogP3.20
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide (CID 155083739) is N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide is Cn1c(Nc2nc3ccc(C(F)(F)F)cc3o2)nc2cc(C(=O)NCCO)ccc21.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
The InChIKey is FKSABAHHINKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-27-14-5-2-10(16(29)23-6-7-28)8-13(14)24-17(27)26-18-25-12-4-3-11(19(20,21)22)9-15(12)30-18/h2-5,8-9,28H,6-7H2,1H3,(H,23,29)(H,24,25,26).
What are the key properties of N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide?
N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide is sourced from PubChem (CID 155083739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).