N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine

C11H11N3 — CID 23341799

IUPACN-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
SMILESCC(C)=C=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyNUNRIVAJAPLPMO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.83
Rot. Bonds1

About N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine

N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine (PubChem CID 23341799) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
PubChem CID23341799
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
SMILESCC(C)=C=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11/h3-6H,1-2H3,(H,13,14)
InChIKeyNUNRIVAJAPLPMO-UHFFFAOYSA-N
XLogP2.83
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine (CID 23341799) is N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine is CC(C)=C=Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine?
The InChIKey is NUNRIVAJAPLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine?
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine has a molecular weight of 185.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine is sourced from PubChem (CID 23341799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).