4-prop-2-enyl-1H-benzimidazol-2-amine

C10H11N3 — CID 66897302

IUPAC4-prop-2-enyl-1H-benzimidazol-2-amine
SMILESC=CCc1cccc2[nH]c(N)nc12
InChIInChI=1S/C10H11N3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2,(H3,11,12,13)
InChIKeyDUEANINPEHNRMF-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.87
Rot. Bonds2

About 4-prop-2-enyl-1H-benzimidazol-2-amine

4-prop-2-enyl-1H-benzimidazol-2-amine (PubChem CID 66897302) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-prop-2-enyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-prop-2-enyl-1H-benzimidazol-2-amine
PubChem CID66897302
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-prop-2-enyl-1H-benzimidazol-2-amine
SMILESC=CCc1cccc2[nH]c(N)nc12
InChIInChI=1S/C10H11N3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2,(H3,11,12,13)
InChIKeyDUEANINPEHNRMF-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1H-benzimidazol-2-amine?
The IUPAC name of 4-prop-2-enyl-1H-benzimidazol-2-amine (CID 66897302) is 4-prop-2-enyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-prop-2-enyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4-prop-2-enyl-1H-benzimidazol-2-amine is C=CCc1cccc2[nH]c(N)nc12.
What is the InChIKey of 4-prop-2-enyl-1H-benzimidazol-2-amine?
The InChIKey is DUEANINPEHNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-7-5-3-6-8-9(7)13-10(11)12-8/h2-3,5-6H,1,4H2,(H3,11,12,13).
What are the key properties of 4-prop-2-enyl-1H-benzimidazol-2-amine?
4-prop-2-enyl-1H-benzimidazol-2-amine has a molecular weight of 173.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 66897302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).