1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide

C16H18F3N3O2 — CID 135288531

IUPAC1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)11-4-1-9(2-5-11)15(24)22-8-21-12-7-10(14(20)23)3-6-13(12)22/h3,6-9,11,15,24H,1-2,4-5H2,(H2,20,23)
InChIKeyYJBNEYJJIIDTTB-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.99
Rot. Bonds3

About 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide

1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide (PubChem CID 135288531) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
PubChem CID135288531
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)11-4-1-9(2-5-11)15(24)22-8-21-12-7-10(14(20)23)3-6-13(12)22/h3,6-9,11,15,24H,1-2,4-5H2,(H2,20,23)
InChIKeyYJBNEYJJIIDTTB-UHFFFAOYSA-N
XLogP2.99
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide (CID 135288531) is 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)ncn2C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is YJBNEYJJIIDTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)11-4-1-9(2-5-11)15(24)22-8-21-12-7-10(14(20)23)3-6-13(12)22/h3,6-9,11,15,24H,1-2,4-5H2,(H2,20,23).
What are the key properties of 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide?
1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 135288531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).