1H-benzimidazole;cyclopropene

C10H10N2 — CID 175111337

IUPAC1H-benzimidazole;cyclopropene
SMILESC1=CC1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H4/c1-2-4-7-6(3-1)8-5-9-7;1-2-3-1/h1-5H,(H,8,9);1-2H,3H2
InChIKeyJWHYBXZVVCTZNZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.51
Rot. Bonds

About 1H-benzimidazole;cyclopropene

1H-benzimidazole;cyclopropene (PubChem CID 175111337) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1H-benzimidazole;cyclopropene.

Molecular Properties

Compound Name1H-benzimidazole;cyclopropene
PubChem CID175111337
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1H-benzimidazole;cyclopropene
SMILESC1=CC1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H4/c1-2-4-7-6(3-1)8-5-9-7;1-2-3-1/h1-5H,(H,8,9);1-2H,3H2
InChIKeyJWHYBXZVVCTZNZ-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1H-benzimidazole;cyclopropene?
The IUPAC name of 1H-benzimidazole;cyclopropene (CID 175111337) is 1H-benzimidazole;cyclopropene.
What is the SMILES notation for 1H-benzimidazole;cyclopropene?
The canonical SMILES for 1H-benzimidazole;cyclopropene is C1=CC1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;cyclopropene?
The InChIKey is JWHYBXZVVCTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H4/c1-2-4-7-6(3-1)8-5-9-7;1-2-3-1/h1-5H,(H,8,9);1-2H,3H2.
What are the key properties of 1H-benzimidazole;cyclopropene?
1H-benzimidazole;cyclopropene has a molecular weight of 158.20 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;cyclopropene is sourced from PubChem (CID 175111337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).