N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide

C23H17N5OS — CID 44530695

IUPACN-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5csnn5)c4)c3)nc12
InChIInChI=1S/C23H17N5OS/c1-14-5-2-10-19-21(14)26-22(25-19)17-8-3-6-15(11-17)16-7-4-9-18(12-16)24-23(29)20-13-30-28-27-20/h2-13H,1H3,(H,24,29)(H,25,26)
InChIKeyAHVYFIKGSSHPEM-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.31
Rot. Bonds4

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

N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (PubChem CID 44530695) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
PubChem CID44530695
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESCc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5csnn5)c4)c3)nc12
InChIInChI=1S/C23H17N5OS/c1-14-5-2-10-19-21(14)26-22(25-19)17-8-3-6-15(11-17)16-7-4-9-18(12-16)24-23(29)20-13-30-28-27-20/h2-13H,1H3,(H,24,29)(H,25,26)
InChIKeyAHVYFIKGSSHPEM-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
1-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525391
1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525392
1-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525393
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-[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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (CID 44530695) is N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide is Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5csnn5)c4)c3)nc12.
What is the InChIKey of N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The InChIKey is AHVYFIKGSSHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-14-5-2-10-19-21(14)26-22(25-19)17-8-3-6-15(11-17)16-7-4-9-18(12-16)24-23(29)20-13-30-28-27-20/h2-13H,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-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-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 44530695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).