N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide

C27H18N4O2 — CID 2345967

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C27H18N4O2/c32-27(20-16-24(25-10-5-15-33-25)29-21-7-2-1-6-19(20)21)28-18-13-11-17(12-14-18)26-30-22-8-3-4-9-23(22)31-26/h1-16H,(H,28,32)(H,30,31)
InChIKeyUVPGWSPHDZUORT-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.29
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 2345967) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID2345967
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C27H18N4O2/c32-27(20-16-24(25-10-5-15-33-25)29-21-7-2-1-6-19(20)21)28-18-13-11-17(12-14-18)26-30-22-8-3-4-9-23(22)31-26/h1-16H,(H,28,32)(H,30,31)
InChIKeyUVPGWSPHDZUORT-UHFFFAOYSA-N
XLogP6.29
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 2345967) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is UVPGWSPHDZUORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c32-27(20-16-24(25-10-5-15-33-25)29-21-7-2-1-6-19(20)21)28-18-13-11-17(12-14-18)26-30-22-8-3-4-9-23(22)31-26/h1-16H,(H,28,32)(H,30,31).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2345967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).