1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol

C10H17N3O — CID 130787693

IUPAC1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
SMILESCn1ccnc1C(C)(O)C1CCNC1
InChIInChI=1S/C10H17N3O/c1-10(14,8-3-4-11-7-8)9-12-5-6-13(9)2/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyMZSWYPQNXDWWLL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.24
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol

1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol (PubChem CID 130787693) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
PubChem CID130787693
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
SMILESCn1ccnc1C(C)(O)C1CCNC1
InChIInChI=1S/C10H17N3O/c1-10(14,8-3-4-11-7-8)9-12-5-6-13(9)2/h5-6,8,11,14H,3-4,7H2,1-2H3
InChIKeyMZSWYPQNXDWWLL-UHFFFAOYSA-N
XLogP0.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
(1S)-5-methoxy-1-(1-methylimidazol-2-yl)-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190365
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
CID 130871256
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 112744380
4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
CID 114533376
1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
CID 62328973
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol (CID 130787693) is 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol is Cn1ccnc1C(C)(O)C1CCNC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol?
The InChIKey is MZSWYPQNXDWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(14,8-3-4-11-7-8)9-12-5-6-13(9)2/h5-6,8,11,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol?
1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol has a molecular weight of 195.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 130787693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).