N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C28H25ClF3N5O2 — CID 71267435

IUPACN-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCCCC3)nc12
InChIInChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36)
InChIKeyOPVQIICDXACXNE-UHFFFAOYSA-N
MW555.99 g/mol
LogP7.04
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71267435) has the molecular formula C28H25ClF3N5O2 and a molecular weight of 555.99 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71267435
Molecular FormulaC28H25ClF3N5O2
Molecular Weight555.99 g/mol
Exact Mass555.16
IUPAC NameN-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCCCC3)nc12
InChIInChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36)
InChIKeyOPVQIICDXACXNE-UHFFFAOYSA-N
XLogP7.04
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.99
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71267435) is N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CCCCC3)nc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is OPVQIICDXACXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 555.99 g/mol, XLogP of 7.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-piperidin-1-yl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).