N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide

C22H17N5OS — CID 44530730

IUPACN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C22H17N5OS/c28-21(11-16-12-23-13-24-16)25-15-7-5-14(6-8-15)19-9-10-20(29-19)22-26-17-3-1-2-4-18(17)27-22/h1-10,12-13H,11H2,(H,23,24)(H,25,28)(H,26,27)
InChIKeyXRFNNEDKFSCTCS-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide

N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 44530730) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID44530730
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C22H17N5OS/c28-21(11-16-12-23-13-24-16)25-15-7-5-14(6-8-15)19-9-10-20(29-19)22-26-17-3-1-2-4-18(17)27-22/h1-10,12-13H,11H2,(H,23,24)(H,25,28)(H,26,27)
InChIKeyXRFNNEDKFSCTCS-UHFFFAOYSA-N
XLogP4.86
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide
CID 44530736
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 44530732
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514576
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 43021407
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 1231029

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide (CID 44530730) is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1.
What is the InChIKey of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is XRFNNEDKFSCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c28-21(11-16-12-23-13-24-16)25-15-7-5-14(6-8-15)19-9-10-20(29-19)22-26-17-3-1-2-4-18(17)27-22/h1-10,12-13H,11H2,(H,23,24)(H,25,28)(H,26,27).
What are the key properties of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 399.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 44530730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).