4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine

C22H27N3O2 — CID 143859047

IUPAC4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
SMILESCC(C)(C)COc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1
InChIInChI=1S/C22H27N3O2/c1-22(2,3)15-27-18-7-4-16(5-8-18)21-23-19-9-6-17(14-20(19)24-21)25-10-12-26-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,24)
InChIKeyKBVRXDSLUVXWCE-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.49
Rot. Bonds4

About 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine

4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine (PubChem CID 143859047) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
PubChem CID143859047
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
SMILESCC(C)(C)COc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1
InChIInChI=1S/C22H27N3O2/c1-22(2,3)15-27-18-7-4-16(5-8-18)21-23-19-9-6-17(14-20(19)24-21)25-10-12-26-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,24)
InChIKeyKBVRXDSLUVXWCE-UHFFFAOYSA-N
XLogP4.49
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine (CID 143859047) is 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine is CC(C)(C)COc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1.
What is the InChIKey of 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine?
The InChIKey is KBVRXDSLUVXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,3)15-27-18-7-4-16(5-8-18)21-23-19-9-6-17(14-20(19)24-21)25-10-12-26-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,23,24).
What are the key properties of 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine?
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine has a molecular weight of 365.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 143859047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).