2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine

C16H24N4O — CID 102742944

IUPAC2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
SMILESCC1(C)CN(Cc2nc3ccc(N)cc3[nH]2)CC(C)(C)O1
InChIInChI=1S/C16H24N4O/c1-15(2)9-20(10-16(3,4)21-15)8-14-18-12-6-5-11(17)7-13(12)19-14/h5-7H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyHKJMSQWMUHOCLE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.53
Rot. Bonds2

About 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine

2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine (PubChem CID 102742944) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
PubChem CID102742944
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine
SMILESCC1(C)CN(Cc2nc3ccc(N)cc3[nH]2)CC(C)(C)O1
InChIInChI=1S/C16H24N4O/c1-15(2)9-20(10-16(3,4)21-15)8-14-18-12-6-5-11(17)7-13(12)19-14/h5-7H,8-10,17H2,1-4H3,(H,18,19)
InChIKeyHKJMSQWMUHOCLE-UHFFFAOYSA-N
XLogP2.53
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,4-dimethylazepan-1-yl)methyl]-3H-benzimidazol-5-amine
CID 65283216
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 43375659
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-3H-benzimidazol-5-amine
CID 66393782
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(1,4-thiazepan-4-ylmethyl)-3H-benzimidazol-5-amine
CID 61418378
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 114461907
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-3H-benzimidazol-5-amine
CID 79165590
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
2-butyl-3H-benzimidazol-5-amine
CID 23301932
4-[(6-amino-1H-benzimidazol-2-yl)methyl]-3-ethylpiperazine-2,6-dione
CID 66069056

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine (CID 102742944) is 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine is CC1(C)CN(Cc2nc3ccc(N)cc3[nH]2)CC(C)(C)O1.
What is the InChIKey of 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine?
The InChIKey is HKJMSQWMUHOCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2)9-20(10-16(3,4)21-15)8-14-18-12-6-5-11(17)7-13(12)19-14/h5-7H,8-10,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine?
2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine has a molecular weight of 288.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 102742944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).