[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride

C14H14ClN3 — CID 75529767

IUPAC[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H13N3.ClH/c15-9-11-5-1-3-7-13(11)17-10-16-12-6-2-4-8-14(12)17;/h1-8,10H,9,15H2;1H
InChIKeyCNMXASPCTYQXQX-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.91
Rot. Bonds2

About [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride

[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 75529767) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
PubChem CID75529767
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C14H13N3.ClH/c15-9-11-5-1-3-7-13(11)17-10-16-12-6-2-4-8-14(12)17;/h1-8,10H,9,15H2;1H
InChIKeyCNMXASPCTYQXQX-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride (CID 75529767) is [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1-n1cnc2ccccc21.
What is the InChIKey of [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is CNMXASPCTYQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.ClH/c15-9-11-5-1-3-7-13(11)17-10-16-12-6-2-4-8-14(12)17;/h1-8,10H,9,15H2;1H.
What are the key properties of [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride?
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 75529767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).