ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride

C23H24ClN3O3 — CID 2931813

IUPACethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride
SMILESCl.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1CC(=O)OCC
InChIInChI=1S/C23H23N3O3.ClH/c1-2-28-22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)13-14-29-19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15,24H,2,13-14,16H2,1H3;1H/b24-23-;
InChIKeyMEFLBMJAFVISTN-DCXSSQDFSA-N
MW425.92 g/mol
LogP4.14
Rot. Bonds7

About ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride

ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride (PubChem CID 2931813) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride
PubChem CID2931813
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Nameethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride
SMILESCl.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1CC(=O)OCC
InChIInChI=1S/C23H23N3O3.ClH/c1-2-28-22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)13-14-29-19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15,24H,2,13-14,16H2,1H3;1H/b24-23-;
InChIKeyMEFLBMJAFVISTN-DCXSSQDFSA-N
XLogP4.14
TPSA69.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride (CID 2931813) is ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride is Cl.[H]/N=c1/n(CCOc2ccc3ccccc3c2)c2ccccc2n1CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride?
The InChIKey is MEFLBMJAFVISTN-DCXSSQDFSA-N. The full InChI is InChI=1S/C23H23N3O3.ClH/c1-2-28-22(27)16-26-21-10-6-5-9-20(21)25(23(26)24)13-14-29-19-12-11-17-7-3-4-8-18(17)15-19;/h3-12,15,24H,2,13-14,16H2,1H3;1H/b24-23-;.
What are the key properties of ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride?
ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-imino-3-(2-naphthalen-2-yloxyethyl)benzimidazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 2931813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).