N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide

C23H17N5OS — CID 44530871

IUPACN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C23H17N5OS/c1-14-21(30-28-27-14)23(29)24-18-9-5-7-16(13-18)15-6-4-8-17(12-15)22-25-19-10-2-3-11-20(19)26-22/h2-13H,1H3,(H,24,29)(H,25,26)
InChIKeyUOKSMIREYCRIFV-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.31
Rot. Bonds4

About N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 44530871) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID44530871
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C23H17N5OS/c1-14-21(30-28-27-14)23(29)24-18-9-5-7-16(13-18)15-6-4-8-17(12-15)22-25-19-10-2-3-11-20(19)26-22/h2-13H,1H3,(H,24,29)(H,25,26)
InChIKeyUOKSMIREYCRIFV-UHFFFAOYSA-N
XLogP5.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44523944
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530689
N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530690
N-[3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530691
N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530693
N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530694
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530695
N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]thiadiazole-4-carboxamide
CID 44530696
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
CID 44530783
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]acetamide
CID 44530784
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530870
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530872

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 44530871) is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UOKSMIREYCRIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-14-21(30-28-27-14)23(29)24-18-9-5-7-16(13-18)15-6-4-8-17(12-15)22-25-19-10-2-3-11-20(19)26-22/h2-13H,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44530871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).