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

C22H15N5OS — CID 44530689

IUPACN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)c1csnn1
InChIInChI=1S/C22H15N5OS/c28-22(20-13-29-27-26-20)23-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-24-18-9-1-2-10-19(18)25-21/h1-13H,(H,23,28)(H,24,25)
InChIKeyCSKOLAYLJSHMQI-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.00
Rot. Bonds4

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

N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (PubChem CID 44530689) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
PubChem CID44530689
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)c1csnn1
InChIInChI=1S/C22H15N5OS/c28-22(20-13-29-27-26-20)23-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-24-18-9-1-2-10-19(18)25-21/h1-13H,(H,23,28)(H,24,25)
InChIKeyCSKOLAYLJSHMQI-UHFFFAOYSA-N
XLogP5.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.00
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
3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide
CID 44523949
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-N-[[4-(thiadiazol-4-yl)phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524186
1-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525392
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
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530871
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]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide (CID 44530689) is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide is O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)c1csnn1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
The InChIKey is CSKOLAYLJSHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS/c28-22(20-13-29-27-26-20)23-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-24-18-9-1-2-10-19(18)25-21/h1-13H,(H,23,28)(H,24,25).
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide?
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]thiadiazole-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 5.00, 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]thiadiazole-4-carboxamide is sourced from PubChem (CID 44530689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).