2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C22H21N3O2S — CID 55371844

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C22H21N3O2S/c1-14-11-12-20(27-14)15(2)23-21(26)17-8-4-3-7-16(17)13-28-22-24-18-9-5-6-10-19(18)25-22/h3-12,15H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRXMSINLTHLYXQC-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.25
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 55371844) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID55371844
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C22H21N3O2S/c1-14-11-12-20(27-14)15(2)23-21(26)17-8-4-3-7-16(17)13-28-22-24-18-9-5-6-10-19(18)25-22/h3-12,15H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRXMSINLTHLYXQC-UHFFFAOYSA-N
XLogP5.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
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N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 55371844) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is RXMSINLTHLYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14-11-12-20(27-14)15(2)23-21(26)17-8-4-3-7-16(17)13-28-22-24-18-9-5-6-10-19(18)25-22/h3-12,15H,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 391.50 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 55371844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).