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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Related Compounds

1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide
CID 151845693
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
1-[2-(hydroxymethyl)cyclohexyl]benzimidazole-5-carboxylic acid
CID 106364026
1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide
CID 140796819
1-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
CID 153454400
[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75495784
(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765727
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide
CID 18504887
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
1-(1-ethylsulfonyl-2-hydroxy-1-phenylethyl)-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]benzimidazole-5-carboxamide
CID 135288944
[3-(aminomethyl)piperidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75469363

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).