N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C24H25ClF3N5O — CID 163267297

About N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 163267297) has the molecular formula C24H25ClF3N5O and a molecular weight of 491.95 g/mol. Its IUPAC name is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
• PubChem CID: 163267297
• Molecular Formula: C24H25ClF3N5O
• Molecular Weight: 491.95 g/mol
• Exact Mass: 491.17
• IUPAC Name: N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
• SMILES: O=C(NC1CCC(Nc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1)C1CCc2nc[nH]c2C1
• InChI: InChI=1S/C24H25ClF3N5O/c25-14-2-8-18-17(10-14)20(11-22(33-18)24(26,27)28)31-15-3-5-16(6-4-15)32-23(34)13-1-7-19-21(9-13)30-12-29-19/h2,8,10-13,15-16H,1,3-7,9H2,(H,29,30)(H,31,33)(H,32,34)
• InChIKey: ZCWAVZVSZVQPED-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 82.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.95
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 163267297) is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NC1CCC(Nc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1)C1CCc2nc[nH]c2C1.

What is the InChIKey of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The InChIKey is ZCWAVZVSZVQPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O/c25-14-2-8-18-17(10-14)20(11-22(33-18)24(26,27)28)31-15-3-5-16(6-4-15)32-23(34)13-1-7-19-21(9-13)30-12-29-19/h2,8,10-13,15-16H,1,3-7,9H2,(H,29,30)(H,31,33)(H,32,34).

What are the key properties of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 491.95 g/mol, XLogP of 5.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 163267297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).