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

C29H33N3O2 — CID 16967527

IUPACN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H33N3O2/c1-20-10-6-7-11-24(20)28(33)30-21(2)27-31-25-12-8-9-13-26(25)32(27)18-19-34-23-16-14-22(15-17-23)29(3,4)5/h6-17,21H,18-19H2,1-5H3,(H,30,33)
InChIKeySXDSFYUUDOSXHC-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.21
Rot. Bonds7

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

N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16967527) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16967527
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H33N3O2/c1-20-10-6-7-11-24(20)28(33)30-21(2)27-31-25-12-8-9-13-26(25)32(27)18-19-34-23-16-14-22(15-17-23)29(3,4)5/h6-17,21H,18-19H2,1-5H3,(H,30,33)
InChIKeySXDSFYUUDOSXHC-UHFFFAOYSA-N
XLogP6.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.21
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]-2-methylbenzamide
CID 16967582
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510
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]pyridine-2-carboxamide
CID 16966730
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967574
2-chloro-N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967682
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]-3-methoxybenzamide
CID 17010157
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010475
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967564
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967575

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16967527) is N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is SXDSFYUUDOSXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-20-10-6-7-11-24(20)28(33)30-21(2)27-31-25-12-8-9-13-26(25)32(27)18-19-34-23-16-14-22(15-17-23)29(3,4)5/h6-17,21H,18-19H2,1-5H3,(H,30,33).
What are the key properties of N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 455.60 g/mol, XLogP of 6.21, 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]-2-methylbenzamide is sourced from PubChem (CID 16967527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).