1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine

C11H11N3 — CID 137179609

IUPAC1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c1-2-7-12-8-11-13-9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,13,14)/b12-8+
InChIKeyZKSJWMJWOWHDCL-XYOKQWHBSA-N
MW185.23 g/mol
LogP2.17
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine

1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine (PubChem CID 137179609) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine
PubChem CID137179609
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C11H11N3/c1-2-7-12-8-11-13-9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,13,14)/b12-8+
InChIKeyZKSJWMJWOWHDCL-XYOKQWHBSA-N
XLogP2.17
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
1-(1H-benzimidazol-2-yl)-N-[[2-(trifluoromethyl)cyclohexa-1,5-dien-3-yn-1-yl]methyl]methanimine
CID 162580055
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
CID 136534856
CID 58296357
CID 58296357
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
CID 136853822
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine (CID 137179609) is 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine is C=CC/N=C/c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine?
The InChIKey is ZKSJWMJWOWHDCL-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-7-12-8-11-13-9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,13,14)/b12-8+.
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine?
1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine has a molecular weight of 185.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine is sourced from PubChem (CID 137179609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).