1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride

C18H20Cl2N2O2 — CID 158090362

IUPAC1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride
SMILESCCOc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1OCC.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-3-22-17-9-15-16(10-18(17)23-4-2)21(12-20-15)11-13-5-7-14(19)8-6-13;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyFOAJVXMJLCYOJX-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.96
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride

1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride (PubChem CID 158090362) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride
PubChem CID158090362
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride
SMILESCCOc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1OCC.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-3-22-17-9-15-16(10-18(17)23-4-2)21(12-20-15)11-13-5-7-14(19)8-6-13;/h5-10,12H,3-4,11H2,1-2H3;1H
InChIKeyFOAJVXMJLCYOJX-UHFFFAOYSA-N
XLogP4.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride (CID 158090362) is 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride is CCOc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1OCC.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride?
The InChIKey is FOAJVXMJLCYOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c1-3-22-17-9-15-16(10-18(17)23-4-2)21(12-20-15)11-13-5-7-14(19)8-6-13;/h5-10,12H,3-4,11H2,1-2H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride?
1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride is sourced from PubChem (CID 158090362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).