N-(1H-benzimidazol-2-yl)pent-4-enamide

C12H13N3O — CID 62867234

IUPACN-(1H-benzimidazol-2-yl)pent-4-enamide
SMILESC=CCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N3O/c1-2-3-8-11(16)15-12-13-9-6-4-5-7-10(9)14-12/h2,4-7H,1,3,8H2,(H2,13,14,15,16)
InChIKeyIVWOZUFGZLBXAY-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.47
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)pent-4-enamide

N-(1H-benzimidazol-2-yl)pent-4-enamide (PubChem CID 62867234) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)pent-4-enamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)pent-4-enamide
PubChem CID62867234
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(1H-benzimidazol-2-yl)pent-4-enamide
SMILESC=CCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N3O/c1-2-3-8-11(16)15-12-13-9-6-4-5-7-10(9)14-12/h2,4-7H,1,3,8H2,(H2,13,14,15,16)
InChIKeyIVWOZUFGZLBXAY-UHFFFAOYSA-N
XLogP2.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
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N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
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N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
CID 60725316
N-(1H-benzimidazol-2-yl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide
CID 2102629
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
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N-prop-2-enyl-1H-benzimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)pent-4-enamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)pent-4-enamide (CID 62867234) is N-(1H-benzimidazol-2-yl)pent-4-enamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)pent-4-enamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)pent-4-enamide is C=CCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)pent-4-enamide?
The InChIKey is IVWOZUFGZLBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-3-8-11(16)15-12-13-9-6-4-5-7-10(9)14-12/h2,4-7H,1,3,8H2,(H2,13,14,15,16).
What are the key properties of N-(1H-benzimidazol-2-yl)pent-4-enamide?
N-(1H-benzimidazol-2-yl)pent-4-enamide has a molecular weight of 215.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)pent-4-enamide is sourced from PubChem (CID 62867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).