N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine

C21H21N3O2 — CID 5146346

IUPACN-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2C)c2c(OC)cccc12
InChIInChI=1S/C21H21N3O2/c1-24-17-9-5-4-8-16(17)23-21(24)22-13-14-11-12-18(25-2)15-7-6-10-19(26-3)20(14)15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyFTADZMUBPGNGMQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.36
Rot. Bonds5

About N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine

N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine (PubChem CID 5146346) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
PubChem CID5146346
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3n2C)c2c(OC)cccc12
InChIInChI=1S/C21H21N3O2/c1-24-17-9-5-4-8-16(17)23-21(24)22-13-14-11-12-18(25-2)15-7-6-10-19(26-3)20(14)15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKeyFTADZMUBPGNGMQ-UHFFFAOYSA-N
XLogP4.36
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758
N-[(2,3-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 936324
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylbenzimidazol-2-amine
CID 103868375
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
1-[2-(diethylamino)ethyl]-N-[(2,4-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 3573876
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-[(2,5-dimethoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342830
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045

Frequently Asked Questions

What is the IUPAC name of N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine (CID 5146346) is N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine is COc1ccc(CNc2nc3ccccc3n2C)c2c(OC)cccc12.
What is the InChIKey of N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine?
The InChIKey is FTADZMUBPGNGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-17-9-5-4-8-16(17)23-21(24)22-13-14-11-12-18(25-2)15-7-6-10-19(26-3)20(14)15/h4-12H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine?
N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,8-dimethoxynaphthalen-1-yl)methyl]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 5146346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).