[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol

C15H22N4O2 — CID 102932112

IUPAC[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCc2nc3ccc(N)cc3[nH]2)CC(CO)O1
InChIInChI=1S/C15H22N4O2/c1-10-7-19(8-12(9-20)21-10)5-4-15-17-13-3-2-11(16)6-14(13)18-15/h2-3,6,10,12,20H,4-5,7-9,16H2,1H3,(H,17,18)
InChIKeySWNQYRQTJHHNIJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.77
Rot. Bonds4

About [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol

[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932112) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932112
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(CCc2nc3ccc(N)cc3[nH]2)CC(CO)O1
InChIInChI=1S/C15H22N4O2/c1-10-7-19(8-12(9-20)21-10)5-4-15-17-13-3-2-11(16)6-14(13)18-15/h2-3,6,10,12,20H,4-5,7-9,16H2,1H3,(H,17,18)
InChIKeySWNQYRQTJHHNIJ-UHFFFAOYSA-N
XLogP0.77
TPSA87.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol (CID 102932112) is [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol is CC1CN(CCc2nc3ccc(N)cc3[nH]2)CC(CO)O1.
What is the InChIKey of [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is SWNQYRQTJHHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-7-19(8-12(9-20)21-10)5-4-15-17-13-3-2-11(16)6-14(13)18-15/h2-3,6,10,12,20H,4-5,7-9,16H2,1H3,(H,17,18).
What are the key properties of [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 290.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).