N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H22F3N3O — CID 22962017

IUPACN-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCC(C(F)(F)F)CC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)12-4-1-10(2-5-12)8-20-15(23)11-3-6-13-14(7-11)22-9-21-13/h9-12H,1-8H2,(H,20,23)(H,21,22)
InChIKeyUSPIKXUEZGASEE-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.00
Rot. Bonds3

About N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 22962017) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID22962017
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCC(C(F)(F)F)CC1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)12-4-1-10(2-5-12)8-20-15(23)11-3-6-13-14(7-11)22-9-21-13/h9-12H,1-8H2,(H,20,23)(H,21,22)
InChIKeyUSPIKXUEZGASEE-UHFFFAOYSA-N
XLogP3.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 22962017) is N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCC1CCC(C(F)(F)F)CC1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is USPIKXUEZGASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)12-4-1-10(2-5-12)8-20-15(23)11-3-6-13-14(7-11)22-9-21-13/h9-12H,1-8H2,(H,20,23)(H,21,22).
What are the key properties of N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 22962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).