4-(1H-imidazol-2-yl)-3aH-benzimidazole

C10H8N4 — CID 137127848

IUPAC4-(1H-imidazol-2-yl)-3aH-benzimidazole
SMILESC1=CC2=NC=NC2C(c2ncc[nH]2)=C1
InChIInChI=1S/C10H8N4/c1-2-7(10-11-4-5-12-10)9-8(3-1)13-6-14-9/h1-6,9H,(H,11,12)
InChIKeyNQHUFRYWZSWDIY-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.21
Rot. Bonds1

About 4-(1H-imidazol-2-yl)-3aH-benzimidazole

4-(1H-imidazol-2-yl)-3aH-benzimidazole (PubChem CID 137127848) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-3aH-benzimidazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-3aH-benzimidazole
PubChem CID137127848
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name4-(1H-imidazol-2-yl)-3aH-benzimidazole
SMILESC1=CC2=NC=NC2C(c2ncc[nH]2)=C1
InChIInChI=1S/C10H8N4/c1-2-7(10-11-4-5-12-10)9-8(3-1)13-6-14-9/h1-6,9H,(H,11,12)
InChIKeyNQHUFRYWZSWDIY-UHFFFAOYSA-N
XLogP1.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-3aH-benzimidazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-3aH-benzimidazole (CID 137127848) is 4-(1H-imidazol-2-yl)-3aH-benzimidazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-3aH-benzimidazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-3aH-benzimidazole is C1=CC2=NC=NC2C(c2ncc[nH]2)=C1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-3aH-benzimidazole?
The InChIKey is NQHUFRYWZSWDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-7(10-11-4-5-12-10)9-8(3-1)13-6-14-9/h1-6,9H,(H,11,12).
What are the key properties of 4-(1H-imidazol-2-yl)-3aH-benzimidazole?
4-(1H-imidazol-2-yl)-3aH-benzimidazole has a molecular weight of 184.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-3aH-benzimidazole is sourced from PubChem (CID 137127848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).