1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride

C15H14Cl2N2 — CID 11346885

IUPAC1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride
SMILESCc1nc2ccccc2n1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H13ClN2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12;/h2-9H,10H2,1H3;1H
InChIKeyMHMTXDMLQZHXRZ-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.47
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride

1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride (PubChem CID 11346885) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride
PubChem CID11346885
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride
SMILESCc1nc2ccccc2n1Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H13ClN2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12;/h2-9H,10H2,1H3;1H
InChIKeyMHMTXDMLQZHXRZ-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride (CID 11346885) is 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride is Cc1nc2ccccc2n1Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride?
The InChIKey is MHMTXDMLQZHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12;/h2-9H,10H2,1H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride?
1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride has a molecular weight of 293.20 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride is sourced from PubChem (CID 11346885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).