N-(3H-benzimidazol-5-yl)prop-2-enamide

C10H9N3O — CID 4318258

IUPACN-(3H-benzimidazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H9N3O/c1-2-10(14)13-7-3-4-8-9(5-7)12-6-11-8/h2-6H,1H2,(H,11,12)(H,13,14)
InChIKeyLBPLJQZONVVTJQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.69
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)prop-2-enamide

N-(3H-benzimidazol-5-yl)prop-2-enamide (PubChem CID 4318258) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)prop-2-enamide
PubChem CID4318258
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-(3H-benzimidazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H9N3O/c1-2-10(14)13-7-3-4-8-9(5-7)12-6-11-8/h2-6H,1H2,(H,11,12)(H,13,14)
InChIKeyLBPLJQZONVVTJQ-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)prop-2-enamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)prop-2-enamide (CID 4318258) is N-(3H-benzimidazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)prop-2-enamide is C=CC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)prop-2-enamide?
The InChIKey is LBPLJQZONVVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-10(14)13-7-3-4-8-9(5-7)12-6-11-8/h2-6H,1H2,(H,11,12)(H,13,14).
What are the key properties of N-(3H-benzimidazol-5-yl)prop-2-enamide?
N-(3H-benzimidazol-5-yl)prop-2-enamide has a molecular weight of 187.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 4318258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).