2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine

C23H21N5O — CID 10339925

IUPAC2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N(C)C)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)16-7-11-19-21(13-16)27-23(25-19)15-6-10-18-20(12-15)26-22(24-18)14-4-8-17(29-3)9-5-14/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOCYYLRWZHGGHLN-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.85
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine

2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine (PubChem CID 10339925) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine
PubChem CID10339925
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N(C)C)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)16-7-11-19-21(13-16)27-23(25-19)15-6-10-18-20(12-15)26-22(24-18)14-4-8-17(29-3)9-5-14/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOCYYLRWZHGGHLN-UHFFFAOYSA-N
XLogP4.85
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine (CID 10339925) is 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine is COc1ccc(-c2nc3ccc(-c4nc5ccc(N(C)C)cc5[nH]4)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine?
The InChIKey is OCYYLRWZHGGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28(2)16-7-11-19-21(13-16)27-23(25-19)15-6-10-18-20(12-15)26-22(24-18)14-4-8-17(29-3)9-5-14/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine?
2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine has a molecular weight of 383.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-N,N-dimethyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 10339925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).