4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one

C25H40N4O3Si — CID 140899992

IUPAC4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one
SMILESCC(C)[Si](OCC1(Cn2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1)(C(C)C)C(C)C
InChIInChI=1S/C25H40N4O3Si/c1-17(2)33(18(3)4,19(5)6)32-16-25(9-10-25)15-29-22-8-7-20(13-21(22)27-24(29)26)28-11-12-31-14-23(28)30/h7-8,13,17-19H,9-12,14-16H2,1-6H3,(H2,26,27)
InChIKeyXMDBIGFEZUPQBU-UHFFFAOYSA-N
MW472.71 g/mol
LogP4.95
Rot. Bonds9

About 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one

4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one (PubChem CID 140899992) has the molecular formula C25H40N4O3Si and a molecular weight of 472.71 g/mol. Its IUPAC name is 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one
PubChem CID140899992
Molecular FormulaC25H40N4O3Si
Molecular Weight472.71 g/mol
Exact Mass472.29
IUPAC Name4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one
SMILESCC(C)[Si](OCC1(Cn2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1)(C(C)C)C(C)C
InChIInChI=1S/C25H40N4O3Si/c1-17(2)33(18(3)4,19(5)6)32-16-25(9-10-25)15-29-22-8-7-20(13-21(22)27-24(29)26)28-11-12-31-14-23(28)30/h7-8,13,17-19H,9-12,14-16H2,1-6H3,(H2,26,27)
InChIKeyXMDBIGFEZUPQBU-UHFFFAOYSA-N
XLogP4.95
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.71
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]propanamide
CID 4894358
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]butanamide
CID 4905097
ethyl 4-{[5-(isobutyrylamino)-1-propyl-1H-benzimidazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761609
ethyl 4-({1-ethyl-5-[(3-methylbutanoyl)amino]-1H-benzimidazol-2-yl}methyl)piperazine-1-carboxylate
CID 24761632
N-(2-tert-butyl-1-methylbenzimidazol-5-yl)-4-methylmorpholine-2-carboxamide
CID 84591777
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 4969955
N-{1-methyl-2-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-5-yl}acetamide
CID 666508
N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pentanamide
CID 666138
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide
CID 667102
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-N'-[4-(4-morpholinyl)phenyl]urea
CID 1084037
N-[2-(2-methoxyethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]pentanamide
CID 4859259

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one?
The IUPAC name of 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one (CID 140899992) is 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one.
What is the SMILES notation for 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one?
The canonical SMILES for 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one is CC(C)[Si](OCC1(Cn2c(N)nc3cc(N4CCOCC4=O)ccc32)CC1)(C(C)C)C(C)C.
What is the InChIKey of 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one?
The InChIKey is XMDBIGFEZUPQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3Si/c1-17(2)33(18(3)4,19(5)6)32-16-25(9-10-25)15-29-22-8-7-20(13-21(22)27-24(29)26)28-11-12-31-14-23(28)30/h7-8,13,17-19H,9-12,14-16H2,1-6H3,(H2,26,27).
What are the key properties of 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one?
4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one has a molecular weight of 472.71 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[[1-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methyl]benzimidazol-5-yl]morpholin-3-one is sourced from PubChem (CID 140899992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).