2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide

C22H26N4O2 — CID 86285259

IUPAC2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
SMILESCC(C)n1c(CNC(=O)c2ccccc2N2CCOCC2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-16(2)26-20-10-6-4-8-18(20)24-21(26)15-23-22(27)17-7-3-5-9-19(17)25-11-13-28-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,23,27)
InChIKeyITHSLCZYMSBGET-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.38
Rot. Bonds5

About 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide

2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 86285259) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
PubChem CID86285259
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
SMILESCC(C)n1c(CNC(=O)c2ccccc2N2CCOCC2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-16(2)26-20-10-6-4-8-18(20)24-21(26)15-23-22(27)17-7-3-5-9-19(17)25-11-13-28-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,23,27)
InChIKeyITHSLCZYMSBGET-UHFFFAOYSA-N
XLogP3.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
2-morpholin-4-ylbenzohydrazide
CID 7148386
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131901796
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46976087
2-morpholin-4-yl-N-[1-(1-phenylethyl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 167950597

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide (CID 86285259) is 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide is CC(C)n1c(CNC(=O)c2ccccc2N2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is ITHSLCZYMSBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(2)26-20-10-6-4-8-18(20)24-21(26)15-23-22(27)17-7-3-5-9-19(17)25-11-13-28-14-12-25/h3-10,16H,11-15H2,1-2H3,(H,23,27).
What are the key properties of 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide?
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86285259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).