2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide

C22H19N5O2S — CID 55539810

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H19N5O2S/c23-21(29)25-16-8-5-7-15(12-16)24-20(28)17-9-2-1-6-14(17)13-30-22-26-18-10-3-4-11-19(18)27-22/h1-12H,13H2,(H,24,28)(H,26,27)(H3,23,25,29)
InChIKeySSJJIAJEOJHJCC-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.60
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide (PubChem CID 55539810) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
PubChem CID55539810
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H19N5O2S/c23-21(29)25-16-8-5-7-15(12-16)24-20(28)17-9-2-1-6-14(17)13-30-22-26-18-10-3-4-11-19(18)27-22/h1-12H,13H2,(H,24,28)(H,26,27)(H3,23,25,29)
InChIKeySSJJIAJEOJHJCC-UHFFFAOYSA-N
XLogP4.60
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide (CID 55539810) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide is NC(=O)Nc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide?
The InChIKey is SSJJIAJEOJHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c23-21(29)25-16-8-5-7-15(12-16)24-20(28)17-9-2-1-6-14(17)13-30-22-26-18-10-3-4-11-19(18)27-22/h1-12H,13H2,(H,24,28)(H,26,27)(H3,23,25,29).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55539810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).