N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine

C10H9N5 — CID 10655607

IUPACN-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine
SMILESc1c[nH]c(Nc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H9N5/c1-2-8-9(14-6-13-8)5-7(1)15-10-11-3-4-12-10/h1-6H,(H,13,14)(H2,11,12,15)
InChIKeyNFSIDEIKDWWMOX-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.03
Rot. Bonds2

About N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine

N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine (PubChem CID 10655607) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine
PubChem CID10655607
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC NameN-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine
SMILESc1c[nH]c(Nc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H9N5/c1-2-8-9(14-6-13-8)5-7(1)15-10-11-3-4-12-10/h1-6H,(H,13,14)(H2,11,12,15)
InChIKeyNFSIDEIKDWWMOX-UHFFFAOYSA-N
XLogP2.03
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine (CID 10655607) is N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine is c1c[nH]c(Nc2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is NFSIDEIKDWWMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-2-8-9(14-6-13-8)5-7(1)15-10-11-3-4-12-10/h1-6H,(H,13,14)(H2,11,12,15).
What are the key properties of N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine?
N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine has a molecular weight of 199.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 10655607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).