2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide

C28H33N5O2 — CID 69289316

IUPAC2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1cccc2[nH]c(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc12
InChIInChI=1S/C28H33N5O2/c1-27(2,3)17-30-24(34)18-11-9-13-20-23(18)33-26(31-20)32-21-14-10-16-29-25(21)35-22-15-8-7-12-19(22)28(4,5)6/h7-16H,17H2,1-6H3,(H,30,34)(H2,31,32,33)
InChIKeyUGVRYQMTOKJWEW-UHFFFAOYSA-N
MW471.61 g/mol
LogP6.57
Rot. Bonds6

About 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide

2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide (PubChem CID 69289316) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
PubChem CID69289316
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)(C)CNC(=O)c1cccc2[nH]c(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc12
InChIInChI=1S/C28H33N5O2/c1-27(2,3)17-30-24(34)18-11-9-13-20-23(18)33-26(31-20)32-21-14-10-16-29-25(21)35-22-15-8-7-12-19(22)28(4,5)6/h7-16H,17H2,1-6H3,(H,30,34)(H2,31,32,33)
InChIKeyUGVRYQMTOKJWEW-UHFFFAOYSA-N
XLogP6.57
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

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
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
CID 11337855
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-[1-[(3,4-dichlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
CID 69291148
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide
CID 69287712
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzothiazole-4-carboxylic acid
CID 172794727
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 69292411
N-[2-(3-tert-butylphenoxy)-3-pyridinyl]-3H-benzo[e]benzimidazol-2-amine
CID 11463953
6-[1-(benzylamino)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69293022
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(4-phenoxyphenyl)methoxy]ethyl]-1H-benzimidazol-2-amine
CID 69291692
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
CID 69289326
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
CID 67026821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide (CID 69289316) is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide is CC(C)(C)CNC(=O)c1cccc2[nH]c(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc12.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is UGVRYQMTOKJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-27(2,3)17-30-24(34)18-11-9-13-20-23(18)33-26(31-20)32-21-14-10-16-29-25(21)35-22-15-8-7-12-19(22)28(4,5)6/h7-16H,17H2,1-6H3,(H,30,34)(H2,31,32,33).
What are the key properties of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide?
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 6.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 69289316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).