2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine

C20H20N4O — CID 118054062

IUPAC2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCN)c2ccccc2n1COc1ccc2ccccc2c1
InChIInChI=1S/C20H20N4O/c21-11-12-23-18-7-3-4-8-19(18)24(20(23)22)14-25-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,22H,11-12,14,21H2/b22-20+
InChIKeyZFSRKVQCCPPHCU-LSDHQDQOSA-N
MW332.41 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine

2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine (PubChem CID 118054062) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine
PubChem CID118054062
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine
SMILES[H]/N=c1\n(CCN)c2ccccc2n1COc1ccc2ccccc2c1
InChIInChI=1S/C20H20N4O/c21-11-12-23-18-7-3-4-8-19(18)24(20(23)22)14-25-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,22H,11-12,14,21H2/b22-20+
InChIKeyZFSRKVQCCPPHCU-LSDHQDQOSA-N
XLogP3.07
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydroiodide
CID 52997856
1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
CID 163326365
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
CID 17370592
1-[2-(4-methoxyphenoxy)ethyl]-3-prop-2-enylbenzimidazol-2-imine
CID 798717
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669

Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine (CID 118054062) is 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine is [H]/N=c1\n(CCN)c2ccccc2n1COc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine?
The InChIKey is ZFSRKVQCCPPHCU-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H20N4O/c21-11-12-23-18-7-3-4-8-19(18)24(20(23)22)14-25-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,22H,11-12,14,21H2/b22-20+.
What are the key properties of 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine?
2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine has a molecular weight of 332.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-3-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 118054062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).