N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide

C30H20N4O — CID 57402674

IUPACN-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1cccc2ncccc12
InChIInChI=1S/C30H20N4O/c35-30(21-10-6-16-24-18(21)13-7-17-31-24)34-28-20-9-2-1-8-19(20)27-22(28)11-5-12-23(27)29-32-25-14-3-4-15-26(25)33-29/h1-17,28H,(H,32,33)(H,34,35)
InChIKeyDFBPGIPNWBMSSO-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.28
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide

N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide (PubChem CID 57402674) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide
PubChem CID57402674
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide
SMILESO=C(NC1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1cccc2ncccc12
InChIInChI=1S/C30H20N4O/c35-30(21-10-6-16-24-18(21)13-7-17-31-24)34-28-20-9-2-1-8-19(20)27-22(28)11-5-12-23(27)29-32-25-14-3-4-15-26(25)33-29/h1-17,28H,(H,32,33)(H,34,35)
InChIKeyDFBPGIPNWBMSSO-UHFFFAOYSA-N
XLogP6.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide (CID 57402674) is N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide is O=C(NC1c2ccccc2-c2c(-c3nc4ccccc4[nH]3)cccc21)c1cccc2ncccc12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide?
The InChIKey is DFBPGIPNWBMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c35-30(21-10-6-16-24-18(21)13-7-17-31-24)34-28-20-9-2-1-8-19(20)27-22(28)11-5-12-23(27)29-32-25-14-3-4-15-26(25)33-29/h1-17,28H,(H,32,33)(H,34,35).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide?
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 6.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]quinoline-5-carboxamide is sourced from PubChem (CID 57402674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).