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

C23H19N5OS — CID 44523597

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C23H19N5OS/c29-22(11-8-17-13-24-14-25-17)26-16-5-3-4-15(12-16)20-9-10-21(30-20)23-27-18-6-1-2-7-19(18)28-23/h1-7,9-10,12-14H,8,11H2,(H,24,25)(H,26,29)(H,27,28)
InChIKeyZDXUNRZQUGGFKH-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.25
Rot. Bonds6

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

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 44523597) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
PubChem CID44523597
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C23H19N5OS/c29-22(11-8-17-13-24-14-25-17)26-16-5-3-4-15(12-16)20-9-10-21(30-20)23-27-18-6-1-2-7-19(18)28-23/h1-7,9-10,12-14H,8,11H2,(H,24,25)(H,26,29)(H,27,28)
InChIKeyZDXUNRZQUGGFKH-UHFFFAOYSA-N
XLogP5.25
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide (CID 44523597) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide is O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is ZDXUNRZQUGGFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c29-22(11-8-17-13-24-14-25-17)26-16-5-3-4-15(12-16)20-9-10-21(30-20)23-27-18-6-1-2-7-19(18)28-23/h1-7,9-10,12-14H,8,11H2,(H,24,25)(H,26,29)(H,27,28).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 413.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 44523597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).