N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C30H27F3N4O2 — CID 67630052

IUPACN-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1cnc(NC(=O)c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C30H27F3N4O2/c1-2-3-10-20-13-9-16-23-22-14-7-8-15-24(22)27(26(20)23)29(39)37(18-30(31,32)33)36-17-25(34-19-36)35-28(38)21-11-5-4-6-12-21/h4-9,11-17,19,27H,2-3,10,18H2,1H3,(H,35,38)
InChIKeyCJJZYQJYILVHPR-UHFFFAOYSA-N
MW532.57 g/mol
LogP6.32
Rot. Bonds8

About N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67630052) has the molecular formula C30H27F3N4O2 and a molecular weight of 532.57 g/mol. Its IUPAC name is N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67630052
Molecular FormulaC30H27F3N4O2
Molecular Weight532.57 g/mol
Exact Mass532.21
IUPAC NameN-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1cnc(NC(=O)c3ccccc3)c1)c1ccccc1-2
InChIInChI=1S/C30H27F3N4O2/c1-2-3-10-20-13-9-16-23-22-14-7-8-15-24(22)27(26(20)23)29(39)37(18-30(31,32)33)36-17-25(34-19-36)35-28(38)21-11-5-4-6-12-21/h4-9,11-17,19,27H,2-3,10,18H2,1H3,(H,35,38)
InChIKeyCJJZYQJYILVHPR-UHFFFAOYSA-N
XLogP6.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67630052) is N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)n1cnc(NC(=O)c3ccccc3)c1)c1ccccc1-2.
What is the InChIKey of N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is CJJZYQJYILVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O2/c1-2-3-10-20-13-9-16-23-22-14-7-8-15-24(22)27(26(20)23)29(39)37(18-30(31,32)33)36-17-25(34-19-36)35-28(38)21-11-5-4-6-12-21/h4-9,11-17,19,27H,2-3,10,18H2,1H3,(H,35,38).
What are the key properties of N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidoimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67630052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).