bis(1H-benzimidazole);hydrochloride

C14H13ClN4 — CID 163717509

IUPACbis(1H-benzimidazole);hydrochloride
SMILESCl.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.ClH/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H
InChIKeyKOQUMOUKYMMUTO-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.55
Rot. Bonds

About bis(1H-benzimidazole);hydrochloride

bis(1H-benzimidazole);hydrochloride (PubChem CID 163717509) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is bis(1H-benzimidazole);hydrochloride.

Molecular Properties

Compound Namebis(1H-benzimidazole);hydrochloride
PubChem CID163717509
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Namebis(1H-benzimidazole);hydrochloride
SMILESCl.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.ClH/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H
InChIKeyKOQUMOUKYMMUTO-UHFFFAOYSA-N
XLogP3.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);hydrochloride?
The IUPAC name of bis(1H-benzimidazole);hydrochloride (CID 163717509) is bis(1H-benzimidazole);hydrochloride.
What is the SMILES notation for bis(1H-benzimidazole);hydrochloride?
The canonical SMILES for bis(1H-benzimidazole);hydrochloride is Cl.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of bis(1H-benzimidazole);hydrochloride?
The InChIKey is KOQUMOUKYMMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.ClH/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H.
What are the key properties of bis(1H-benzimidazole);hydrochloride?
bis(1H-benzimidazole);hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);hydrochloride is sourced from PubChem (CID 163717509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).