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

C23H18FN5OS — CID 44523605

IUPACN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1
InChIInChI=1S/C23H18FN5OS/c24-15-4-6-18-19(11-15)29-23(28-18)21-8-7-20(31-21)14-2-1-3-16(10-14)27-22(30)9-5-17-12-25-13-26-17/h1-4,6-8,10-13H,5,9H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyHVLLCLCDZIUPIJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.39
Rot. Bonds6

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

N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 44523605) has the molecular formula C23H18FN5OS and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID44523605
Molecular FormulaC23H18FN5OS
Molecular Weight431.50 g/mol
Exact Mass431.12
IUPAC NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1
InChIInChI=1S/C23H18FN5OS/c24-15-4-6-18-19(11-15)29-23(28-18)21-8-7-20(31-21)14-2-1-3-16(10-14)27-22(30)9-5-17-12-25-13-26-17/h1-4,6-8,10-13H,5,9H2,(H,25,26)(H,27,30)(H,28,29)
InChIKeyHVLLCLCDZIUPIJ-UHFFFAOYSA-N
XLogP5.39
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide (CID 44523605) is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1.
What is the InChIKey of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is HVLLCLCDZIUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5OS/c24-15-4-6-18-19(11-15)29-23(28-18)21-8-7-20(31-21)14-2-1-3-16(10-14)27-22(30)9-5-17-12-25-13-26-17/h1-4,6-8,10-13H,5,9H2,(H,25,26)(H,27,30)(H,28,29).
What are the key properties of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 431.50 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 44523605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).