2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride

C14H12Cl2N2 — CID 53407605

IUPAC2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
SMILESCl.ClCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C14H11ClN2.ClH/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11;/h1-9H,10H2;1H
InChIKeyMAAHGMPGADCLLV-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.19
Rot. Bonds2

About 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride

2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride (PubChem CID 53407605) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
PubChem CID53407605
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
SMILESCl.ClCc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C14H11ClN2.ClH/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11;/h1-9H,10H2;1H
InChIKeyMAAHGMPGADCLLV-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride (CID 53407605) is 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride is Cl.ClCc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride?
The InChIKey is MAAHGMPGADCLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2.ClH/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11;/h1-9H,10H2;1H.
What are the key properties of 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride?
2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-phenylbenzimidazole;hydrochloride is sourced from PubChem (CID 53407605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).