6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine

C23H25N3O5 — CID 129189179

IUPAC6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(NCc3cc(OC)c4c(OC)ccc(OC)c4c3OC)[nH]c2c1
InChIInChI=1S/C23H25N3O5/c1-27-14-6-7-15-16(11-14)26-23(25-15)24-12-13-10-19(30-4)20-17(28-2)8-9-18(29-3)21(20)22(13)31-5/h6-11H,12H2,1-5H3,(H2,24,25,26)
InChIKeyWPKZBOVCHMFNNB-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.37
Rot. Bonds8

About 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine

6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine (PubChem CID 129189179) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
PubChem CID129189179
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(NCc3cc(OC)c4c(OC)ccc(OC)c4c3OC)[nH]c2c1
InChIInChI=1S/C23H25N3O5/c1-27-14-6-7-15-16(11-14)26-23(25-15)24-12-13-10-19(30-4)20-17(28-2)8-9-18(29-3)21(20)22(13)31-5/h6-11H,12H2,1-5H3,(H2,24,25,26)
InChIKeyWPKZBOVCHMFNNB-UHFFFAOYSA-N
XLogP4.37
TPSA86.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine with MolForge

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Related Compounds

6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
N-ethyl-6-methylidenephosphanyloxy-1H-benzimidazol-2-amine
CID 91057864
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine (CID 129189179) is 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine is COc1ccc2nc(NCc3cc(OC)c4c(OC)ccc(OC)c4c3OC)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is WPKZBOVCHMFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-27-14-6-7-15-16(11-14)26-23(25-15)24-12-13-10-19(30-4)20-17(28-2)8-9-18(29-3)21(20)22(13)31-5/h6-11H,12H2,1-5H3,(H2,24,25,26).
What are the key properties of 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine?
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 423.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129189179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).