2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

C23H29N3O2 — CID 55408770

IUPAC2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
SMILESCCn1c(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-6-26-20-10-8-7-9-19(20)25-21(26)15-24-22(27)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27)
InChIKeyWMGKXNIYCMJIIF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 55408770) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
PubChem CID55408770
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
SMILESCCn1c(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-6-26-20-10-8-7-9-19(20)25-21(26)15-24-22(27)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27)
InChIKeyWMGKXNIYCMJIIF-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
(2R)-2-(4-tert-butylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 40987219
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775677
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
N-[(1-ethylindol-2-yl)methyl]-2-phenoxypropanamide
CID 6498719
2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide
CID 55389843
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (CID 55408770) is 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is CCn1c(CNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is WMGKXNIYCMJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-6-26-20-10-8-7-9-19(20)25-21(26)15-24-22(27)16(2)28-18-13-11-17(12-14-18)23(3,4)5/h7-14,16H,6,15H2,1-5H3,(H,24,27).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55408770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).