4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

C12H15N3O2 — CID 79204355

IUPAC4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCO)cc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-8-13-10-5-4-9(7-11(10)14-8)15-12(17)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyZKJWUYMYOXSWQE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.58
Rot. Bonds4

About 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide

4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (PubChem CID 79204355) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
PubChem CID79204355
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCO)cc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-8-13-10-5-4-9(7-11(10)14-8)15-12(17)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyZKJWUYMYOXSWQE-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide (CID 79204355) is 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is Cc1nc2ccc(NC(=O)CCCO)cc2[nH]1.
What is the InChIKey of 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
The InChIKey is ZKJWUYMYOXSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-13-10-5-4-9(7-11(10)14-8)15-12(17)3-2-6-16/h4-5,7,16H,2-3,6H2,1H3,(H,13,14)(H,15,17).
What are the key properties of 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide?
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide has a molecular weight of 233.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide is sourced from PubChem (CID 79204355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).