N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C21H20F3N3O2 — CID 134143736

IUPACN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29)
InChIKeyIDJUAWMLSORTJP-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.78
Rot. Bonds3

About N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 134143736) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID134143736
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29)
InChIKeyIDJUAWMLSORTJP-UHFFFAOYSA-N
XLogP4.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
Takinib
CID 37750349
N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10114595
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10142476
N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide
CID 10184123
N-[5-(2,2-dimethylpropanoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10207985
N-(1-butylbenzimidazol-2-yl)benzamide
CID 2851364
N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
CID 745085
4-fluoro-N-(1-methyl-1H-benzimidazol-2-yl)benzamide
CID 747511
4-methyl-N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
CID 780682
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 2837113
4-methyl-N-(1-propyl-1H-benzimidazol-2-yl)benzamide
CID 780681

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 134143736) is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2ccccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IDJUAWMLSORTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29).
What are the key properties of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134143736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).