N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine

C26H24N4O — CID 11463953

IUPACN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
SMILESCC(C)(C)c1cccc(Oc2ncccc2Nc2nc3c(ccc4ccccc43)[nH]2)c1
InChIInChI=1S/C26H24N4O/c1-26(2,3)18-9-6-10-19(16-18)31-24-22(12-7-15-27-24)29-25-28-21-14-13-17-8-4-5-11-20(17)23(21)30-25/h4-16H,1-3H3,(H2,28,29,30)
InChIKeySTGBNIGRYYYECN-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.94
Rot. Bonds4

About N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine

N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine (PubChem CID 11463953) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
PubChem CID11463953
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
SMILESCC(C)(C)c1cccc(Oc2ncccc2Nc2nc3c(ccc4ccccc43)[nH]2)c1
InChIInChI=1S/C26H24N4O/c1-26(2,3)18-9-6-10-19(16-18)31-24-22(12-7-15-27-24)29-25-28-21-14-13-17-8-4-5-11-20(17)23(21)30-25/h4-16H,1-3H3,(H2,28,29,30)
InChIKeySTGBNIGRYYYECN-UHFFFAOYSA-N
XLogP6.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11441710
5-chloro-6-fluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11293135
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11408561
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
CID 69289316
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
N-benzyl-2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 69291683
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-[1-[(3,4-dichlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
CID 69291148
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 69292411
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3-phenylprop-2-enamide
CID 67026955
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(4-phenoxyphenyl)methoxy]ethyl]-1H-benzimidazol-2-amine
CID 69291692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine?
The IUPAC name of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine (CID 11463953) is N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine is CC(C)(C)c1cccc(Oc2ncccc2Nc2nc3c(ccc4ccccc43)[nH]2)c1.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine?
The InChIKey is STGBNIGRYYYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-26(2,3)18-9-6-10-19(16-18)31-24-22(12-7-15-27-24)29-25-28-21-14-13-17-8-4-5-11-20(17)23(21)30-25/h4-16H,1-3H3,(H2,28,29,30).
What are the key properties of N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine?
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine has a molecular weight of 408.51 g/mol, XLogP of 6.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine is sourced from PubChem (CID 11463953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).