2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine

C24H23N7 — CID 156797897

IUPAC2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine
SMILESCN(C)c1ccc(-c2ccc3[nH]cc(-c4nc5ccc(N=C(N)N)cc5[nH]4)c3c2)cc1
InChIInChI=1S/C24H23N7/c1-31(2)17-7-3-14(4-8-17)15-5-9-20-18(11-15)19(13-27-20)23-29-21-10-6-16(28-24(25)26)12-22(21)30-23/h3-13,27H,1-2H3,(H,29,30)(H4,25,26,28)
InChIKeySOYJNINLNJTSCN-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.35
Rot. Bonds4

About 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine

2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine (PubChem CID 156797897) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine.

Molecular Properties

Compound Name2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine
PubChem CID156797897
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine
SMILESCN(C)c1ccc(-c2ccc3[nH]cc(-c4nc5ccc(N=C(N)N)cc5[nH]4)c3c2)cc1
InChIInChI=1S/C24H23N7/c1-31(2)17-7-3-14(4-8-17)15-5-9-20-18(11-15)19(13-27-20)23-29-21-10-6-16(28-24(25)26)12-22(21)30-23/h3-13,27H,1-2H3,(H,29,30)(H4,25,26,28)
InChIKeySOYJNINLNJTSCN-UHFFFAOYSA-N
XLogP4.35
TPSA112.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine?
The IUPAC name of 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine (CID 156797897) is 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine.
What is the SMILES notation for 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine?
The canonical SMILES for 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine is CN(C)c1ccc(-c2ccc3[nH]cc(-c4nc5ccc(N=C(N)N)cc5[nH]4)c3c2)cc1.
What is the InChIKey of 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine?
The InChIKey is SOYJNINLNJTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-31(2)17-7-3-14(4-8-17)15-5-9-20-18(11-15)19(13-27-20)23-29-21-10-6-16(28-24(25)26)12-22(21)30-23/h3-13,27H,1-2H3,(H,29,30)(H4,25,26,28).
What are the key properties of 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine?
2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine has a molecular weight of 409.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[4-(dimethylamino)phenyl]-1H-indol-3-yl]-3H-benzimidazol-5-yl]guanidine is sourced from PubChem (CID 156797897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).