N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide

C22H26N4O4S — CID 2998324

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O4S/c1-15(2)20(21-23-18-5-3-4-6-19(18)24-21)25-22(27)16-7-9-17(10-8-16)31(28,29)26-11-13-30-14-12-26/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDLOAQYTUCXVVAC-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.71
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2998324) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2998324
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H26N4O4S/c1-15(2)20(21-23-18-5-3-4-6-19(18)24-21)25-22(27)16-7-9-17(10-8-16)31(28,29)26-11-13-30-14-12-26/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDLOAQYTUCXVVAC-UHFFFAOYSA-N
XLogP2.71
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide (CID 2998324) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide is CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DLOAQYTUCXVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15(2)20(21-23-18-5-3-4-6-19(18)24-21)25-22(27)16-7-9-17(10-8-16)31(28,29)26-11-13-30-14-12-26/h3-10,15,20H,11-14H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 442.54 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2998324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).