6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide

C34H37F3N6O2 — CID 143282026

IUPAC6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
SMILESCCCC1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21
InChIInChI=1S/C34H37F3N6O2/c1-2-7-30-33(45)41-27-12-11-25(38-14-17-42-15-4-3-5-16-42)20-26(27)31-40-28-19-23(10-13-29(28)43(30)31)32(44)39-21-22-8-6-9-24(18-22)34(35,36)37/h6,8-13,18-20,30,38H,2-5,7,14-17,21H2,1H3,(H,39,44)(H,41,45)
InChIKeyKIXCYPTVRODPRP-UHFFFAOYSA-N
MW618.70 g/mol
LogP6.84
Rot. Bonds9

About 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide

6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide (PubChem CID 143282026) has the molecular formula C34H37F3N6O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide.

Molecular Properties

Compound Name6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
PubChem CID143282026
Molecular FormulaC34H37F3N6O2
Molecular Weight618.70 g/mol
Exact Mass618.29
IUPAC Name6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
SMILESCCCC1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21
InChIInChI=1S/C34H37F3N6O2/c1-2-7-30-33(45)41-27-12-11-25(38-14-17-42-15-4-3-5-16-42)20-26(27)31-40-28-19-23(10-13-29(28)43(30)31)32(44)39-21-22-8-6-9-24(18-22)34(35,36)37/h6,8-13,18-20,30,38H,2-5,7,14-17,21H2,1H3,(H,39,44)(H,41,45)
InChIKeyKIXCYPTVRODPRP-UHFFFAOYSA-N
XLogP6.84
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide?
The IUPAC name of 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide (CID 143282026) is 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide.
What is the SMILES notation for 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide?
The canonical SMILES for 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide is CCCC1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21.
What is the InChIKey of 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide?
The InChIKey is KIXCYPTVRODPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F3N6O2/c1-2-7-30-33(45)41-27-12-11-25(38-14-17-42-15-4-3-5-16-42)20-26(27)31-40-28-19-23(10-13-29(28)43(30)31)32(44)39-21-22-8-6-9-24(18-22)34(35,36)37/h6,8-13,18-20,30,38H,2-5,7,14-17,21H2,1H3,(H,39,44)(H,41,45).
What are the key properties of 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide?
6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide has a molecular weight of 618.70 g/mol, XLogP of 6.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(2-piperidin-1-ylethylamino)-7-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide is sourced from PubChem (CID 143282026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).