N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine

C32H34ClN5O — CID 69289326

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
SMILESCC(c1ccc2nc(Nc3cccnc3Oc3ccccc3C(C)(C)C)[nH]c2c1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C32H34ClN5O/c1-21(38(5)20-22-10-8-11-24(33)18-22)23-15-16-26-28(19-23)37-31(35-26)36-27-13-9-17-34-30(27)39-29-14-7-6-12-25(29)32(2,3)4/h6-19,21H,20H2,1-5H3,(H2,35,36,37)
InChIKeyIZLQWWOYUAEHBC-UHFFFAOYSA-N
MW540.11 g/mol
LogP8.64
Rot. Bonds8

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine (PubChem CID 69289326) has the molecular formula C32H34ClN5O and a molecular weight of 540.11 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
PubChem CID69289326
Molecular FormulaC32H34ClN5O
Molecular Weight540.11 g/mol
Exact Mass539.25
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
SMILESCC(c1ccc2nc(Nc3cccnc3Oc3ccccc3C(C)(C)C)[nH]c2c1)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C32H34ClN5O/c1-21(38(5)20-22-10-8-11-24(33)18-22)23-15-16-26-28(19-23)37-31(35-26)36-27-13-9-17-34-30(27)39-29-14-7-6-12-25(29)32(2,3)4/h6-19,21H,20H2,1-5H3,(H2,35,36,37)
InChIKeyIZLQWWOYUAEHBC-UHFFFAOYSA-N
XLogP8.64
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.11
LogP ≤ 58.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine with MolForge

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Related Compounds

6-[1-(benzylamino)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69293022
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-[1-[(3,4-dichlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
CID 69291148
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(4-phenoxyphenyl)methoxy]ethyl]-1H-benzimidazol-2-amine
CID 69291692
6-[1-(4-benzylpiperazin-1-yl)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69287717
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 69287732
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-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
6-tert-butyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11441710
5-[[benzyl(methyl)amino]methyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3,4-thiadiazol-2-amine
CID 59128995
5-[[benzyl(methyl)amino]methyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 59128782

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine (CID 69289326) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine is CC(c1ccc2nc(Nc3cccnc3Oc3ccccc3C(C)(C)C)[nH]c2c1)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine?
The InChIKey is IZLQWWOYUAEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O/c1-21(38(5)20-22-10-8-11-24(33)18-22)23-15-16-26-28(19-23)37-31(35-26)36-27-13-9-17-34-30(27)39-29-14-7-6-12-25(29)32(2,3)4/h6-19,21H,20H2,1-5H3,(H2,35,36,37).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine has a molecular weight of 540.11 g/mol, XLogP of 8.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 69289326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).