1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride

C15H16ClN3 — CID 20847974

IUPAC1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3.ClH/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15;/h1-9,12H,10,16H2,(H,17,18);1H
InChIKeyQMCRGUSTHZXKDF-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.23
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride

1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride (PubChem CID 20847974) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride
PubChem CID20847974
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride
SMILESCl.NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3.ClH/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15;/h1-9,12H,10,16H2,(H,17,18);1H
InChIKeyQMCRGUSTHZXKDF-UHFFFAOYSA-N
XLogP3.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride (CID 20847974) is 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride is Cl.NC(Cc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride?
The InChIKey is QMCRGUSTHZXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.ClH/c16-12(10-11-6-2-1-3-7-11)15-17-13-8-4-5-9-14(13)18-15;/h1-9,12H,10,16H2,(H,17,18);1H.
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride?
1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 20847974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).