3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide

C13H15N3O3 — CID 115185226

IUPAC3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(CO)COC3)cc2[nH]1
InChIInChI=1S/C13H15N3O3/c1-8-14-10-3-2-9(4-11(10)15-8)16-12(18)13(5-17)6-19-7-13/h2-4,17H,5-7H2,1H3,(H,14,15)(H,16,18)
InChIKeyIHDVNCVUSLSZLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.82
Rot. Bonds3

About 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide

3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide (PubChem CID 115185226) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
PubChem CID115185226
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(CO)COC3)cc2[nH]1
InChIInChI=1S/C13H15N3O3/c1-8-14-10-3-2-9(4-11(10)15-8)16-12(18)13(5-17)6-19-7-13/h2-4,17H,5-7H2,1H3,(H,14,15)(H,16,18)
InChIKeyIHDVNCVUSLSZLI-UHFFFAOYSA-N
XLogP0.82
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-methyl-3H-benzimidazol-5-yl)methyl]oxetane-3-carboxylate
CID 116930258
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide (CID 115185226) is 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide is Cc1nc2ccc(NC(=O)C3(CO)COC3)cc2[nH]1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide?
The InChIKey is IHDVNCVUSLSZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-14-10-3-2-9(4-11(10)15-8)16-12(18)13(5-17)6-19-7-13/h2-4,17H,5-7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide?
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115185226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).