(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

C14H23N3O — CID 79057165

IUPAC(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESCn1ccnc1C(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H23N3O/c1-16-11-8-15-13(16)12(18)14(6-2-3-7-14)17-9-4-5-10-17/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyBJILGWGCQUDERP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds3

About (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (PubChem CID 79057165) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
PubChem CID79057165
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol
SMILESCn1ccnc1C(O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C14H23N3O/c1-16-11-8-15-13(16)12(18)14(6-2-3-7-14)17-9-4-5-10-17/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyBJILGWGCQUDERP-UHFFFAOYSA-N
XLogP1.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The IUPAC name of (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol (CID 79057165) is (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is Cn1ccnc1C(O)C1(N2CCCC2)CCCC1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
The InChIKey is BJILGWGCQUDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-11-8-15-13(16)12(18)14(6-2-3-7-14)17-9-4-5-10-17/h8,11-12,18H,2-7,9-10H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol?
(1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol has a molecular weight of 249.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanol is sourced from PubChem (CID 79057165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).