N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide

C28H30ClN3O2 — CID 17010475

IUPACN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H30ClN3O2/c1-19(30-27(33)20-8-7-9-22(29)18-20)26-31-24-10-5-6-11-25(24)32(26)16-17-34-23-14-12-21(13-15-23)28(2,3)4/h5-15,18-19H,16-17H2,1-4H3,(H,30,33)
InChIKeyGQBPIYIUECQFAG-UHFFFAOYSA-N
MW476.02 g/mol
LogP6.56
Rot. Bonds7

About N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide

N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide (PubChem CID 17010475) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
PubChem CID17010475
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
SMILESCC(NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H30ClN3O2/c1-19(30-27(33)20-8-7-9-22(29)18-20)26-31-24-10-5-6-11-25(24)32(26)16-17-34-23-14-12-21(13-15-23)28(2,3)4/h5-15,18-19H,16-17H2,1-4H3,(H,30,33)
InChIKeyGQBPIYIUECQFAG-UHFFFAOYSA-N
XLogP6.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010530
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010157
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
3-chloro-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010498
3-chloro-N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010504
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010184
3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966730
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969371
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967527
N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990473

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide?
The IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide (CID 17010475) is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide?
The canonical SMILES for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide is CC(NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide?
The InChIKey is GQBPIYIUECQFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-19(30-27(33)20-8-7-9-22(29)18-20)26-31-24-10-5-6-11-25(24)32(26)16-17-34-23-14-12-21(13-15-23)28(2,3)4/h5-15,18-19H,16-17H2,1-4H3,(H,30,33).
What are the key properties of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide?
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide has a molecular weight of 476.02 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide is sourced from PubChem (CID 17010475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).