N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine

C20H19N3O — CID 134084471

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCOc1ccc2nc(CNCc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C20H19N3O/c1-24-16-9-10-18-19(11-16)23-20(22-18)13-21-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,21H,12-13H2,1H3,(H,22,23)
InChIKeyFPWIPURFIVNURB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.01
Rot. Bonds5

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine (PubChem CID 134084471) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
PubChem CID134084471
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESCOc1ccc2nc(CNCc3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C20H19N3O/c1-24-16-9-10-18-19(11-16)23-20(22-18)13-21-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,21H,12-13H2,1H3,(H,22,23)
InChIKeyFPWIPURFIVNURB-UHFFFAOYSA-N
XLogP4.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
CID 131936062
N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
CID 56860984
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 91347562
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66526725
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66526716
1-(1-benzothiophen-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 166348965
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274260

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine (CID 134084471) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine is COc1ccc2nc(CNCc3cccc4ccccc34)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is FPWIPURFIVNURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-24-16-9-10-18-19(11-16)23-20(22-18)13-21-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11,21H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 317.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 134084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).