2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol

C10H18N4O — CID 116881626

IUPAC2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
SMILESCN1CCC(c2cnc(C(N)CO)[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-14-3-2-7(5-14)9-4-12-10(13-9)8(11)6-15/h4,7-8,15H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyQCXRWUYIIYNYAP-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.18
Rot. Bonds3

About 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol

2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881626) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
PubChem CID116881626
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol
SMILESCN1CCC(c2cnc(C(N)CO)[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-14-3-2-7(5-14)9-4-12-10(13-9)8(11)6-15/h4,7-8,15H,2-3,5-6,11H2,1H3,(H,12,13)
InChIKeyQCXRWUYIIYNYAP-UHFFFAOYSA-N
XLogP-0.18
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125
[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882697
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 117390228
3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876953
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]cyclohexan-1-one
CID 116881329
3-amino-3-(5-cyclopentyl-1H-imidazol-2-yl)propanoic acid
CID 116881823
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
2-amino-2-[3-(1-methylpyrrolidin-3-yl)imidazol-4-yl]ethanol
CID 114704961
2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 140910040
1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
CID 116877683

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol (CID 116881626) is 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol is CN1CCC(c2cnc(C(N)CO)[nH]2)C1.
What is the InChIKey of 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol?
The InChIKey is QCXRWUYIIYNYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-3-2-7(5-14)9-4-12-10(13-9)8(11)6-15/h4,7-8,15H,2-3,5-6,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol?
2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol has a molecular weight of 210.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).