4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine

C18H27N3O — CID 138657131

IUPAC4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine
SMILESCc1nc2ccc(C(C)(C)C)cc2n1CCN1CCOCC1
InChIInChI=1S/C18H27N3O/c1-14-19-16-6-5-15(18(2,3)4)13-17(16)21(14)8-7-20-9-11-22-12-10-20/h5-6,13H,7-12H2,1-4H3
InChIKeyDZJTVPKIEBSEEO-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.97
Rot. Bonds3

About 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine

4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine (PubChem CID 138657131) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine
PubChem CID138657131
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine
SMILESCc1nc2ccc(C(C)(C)C)cc2n1CCN1CCOCC1
InChIInChI=1S/C18H27N3O/c1-14-19-16-6-5-15(18(2,3)4)13-17(16)21(14)8-7-20-9-11-22-12-10-20/h5-6,13H,7-12H2,1-4H3
InChIKeyDZJTVPKIEBSEEO-UHFFFAOYSA-N
XLogP2.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[2-[3-butyl-2-[3-(4-tert-butylphenoxy)phenyl]benzimidazol-5-yl]oxyethyl]morpholine
CID 59699191
5,7-ditert-butyl-2-(2-morpholin-4-ylethyl)-1,3-benzoxazole
CID 177445212
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
CID 46309520

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine (CID 138657131) is 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine is Cc1nc2ccc(C(C)(C)C)cc2n1CCN1CCOCC1.
What is the InChIKey of 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine?
The InChIKey is DZJTVPKIEBSEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-19-16-6-5-15(18(2,3)4)13-17(16)21(14)8-7-20-9-11-22-12-10-20/h5-6,13H,7-12H2,1-4H3.
What are the key properties of 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine?
4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine has a molecular weight of 301.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-tert-butyl-2-methylbenzimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 138657131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).