N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

C23H23N3O3 — CID 1124051

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccc(OC)c4OC)ccc32)cc1
InChIInChI=1S/C23H23N3O3/c1-27-19-10-8-18(9-11-19)26-15-25-20-13-17(7-12-21(20)26)24-14-16-5-4-6-22(28-2)23(16)29-3/h4-13,15,24H,14H2,1-3H3
InChIKeyDGGFGNOCHBWENN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.66
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 1124051) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID1124051
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccc(OC)c4OC)ccc32)cc1
InChIInChI=1S/C23H23N3O3/c1-27-19-10-8-18(9-11-19)26-15-25-20-13-17(7-12-21(20)26)24-14-16-5-4-6-22(28-2)23(16)29-3/h4-13,15,24H,14H2,1-3H3
InChIKeyDGGFGNOCHBWENN-UHFFFAOYSA-N
XLogP4.66
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
N-(2,3-Dimethoxybenzyl)-1,2-dimethyl-1H-benzimidazol-5-amine
CID 628339
2-Methoxy-6-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
CID 715201
2-[[[1-(4-Methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
CID 672701
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
1-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzimidazol-5-amine
CID 3713839
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 24748634
1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794200
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
2-Propanol, 1-((6-(1-(1H-benzimidazol-1-yl)vinyl)-2-methoxy)phenoxy)-3-(tert-butylamino)-
CID 3069771

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (CID 1124051) is N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4cccc(OC)c4OC)ccc32)cc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is DGGFGNOCHBWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-27-19-10-8-18(9-11-19)26-15-25-20-13-17(7-12-21(20)26)24-14-16-5-4-6-22(28-2)23(16)29-3/h4-13,15,24H,14H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 389.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 1124051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).