N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide

C25H20FN5O — CID 44523599

IUPACN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H20FN5O/c26-19-8-10-22-23(13-19)31-25(30-22)17-6-4-16(5-7-17)18-2-1-3-20(12-18)29-24(32)11-9-21-14-27-15-28-21/h1-8,10,12-15H,9,11H2,(H,27,28)(H,29,32)(H,30,31)
InChIKeyBHKGUTXPVFYGEK-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.33
Rot. Bonds6

About N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide

N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 44523599) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID44523599
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC NameN-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H20FN5O/c26-19-8-10-22-23(13-19)31-25(30-22)17-6-4-16(5-7-17)18-2-1-3-20(12-18)29-24(32)11-9-21-14-27-15-28-21/h1-8,10,12-15H,9,11H2,(H,27,28)(H,29,32)(H,30,31)
InChIKeyBHKGUTXPVFYGEK-UHFFFAOYSA-N
XLogP5.33
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide (CID 44523599) is N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1.
What is the InChIKey of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is BHKGUTXPVFYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c26-19-8-10-22-23(13-19)31-25(30-22)17-6-4-16(5-7-17)18-2-1-3-20(12-18)29-24(32)11-9-21-14-27-15-28-21/h1-8,10,12-15H,9,11H2,(H,27,28)(H,29,32)(H,30,31).
What are the key properties of N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 425.47 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 44523599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).