N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide

C11H13N3O2 — CID 115162816

IUPACN-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H13N3O2/c15-5-1-2-11(16)14-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,15H,1-2,5H2,(H,12,13)(H,14,16)
InChIKeyUGTLOEKSNHXYGM-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.27
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide

N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide (PubChem CID 115162816) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
PubChem CID115162816
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
SMILESO=C(CCCO)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C11H13N3O2/c15-5-1-2-11(16)14-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,15H,1-2,5H2,(H,12,13)(H,14,16)
InChIKeyUGTLOEKSNHXYGM-UHFFFAOYSA-N
XLogP1.27
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide (CID 115162816) is N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide is O=C(CCCO)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide?
The InChIKey is UGTLOEKSNHXYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-5-1-2-11(16)14-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,15H,1-2,5H2,(H,12,13)(H,14,16).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide?
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide has a molecular weight of 219.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide is sourced from PubChem (CID 115162816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).