6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine

C15H15N3O2 — CID 82562561

IUPAC6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1cccc(Nc2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O2/c1-19-11-5-3-4-10(8-11)16-15-17-13-7-6-12(20-2)9-14(13)18-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyXPQSXCJAQIOOLF-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.32
Rot. Bonds4

About 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine

6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 82562561) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID82562561
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1cccc(Nc2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C15H15N3O2/c1-19-11-5-3-4-10(8-11)16-15-17-13-7-6-12(20-2)9-14(13)18-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyXPQSXCJAQIOOLF-UHFFFAOYSA-N
XLogP3.32
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
CID 82562597
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
CID 82562590
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
2-[4-(dimethylamino)phenyl]-N-[2-(3-methoxyanilino)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 67113265
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine (CID 82562561) is 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine is COc1cccc(Nc2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is XPQSXCJAQIOOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-19-11-5-3-4-10(8-11)16-15-17-13-7-6-12(20-2)9-14(13)18-15/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine?
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 269.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).