[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol

C10H12ClN3O — CID 66397633

IUPAC[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol
SMILESCn1c(Cl)cnc1Cn1ccc(CO)c1
InChIInChI=1S/C10H12ClN3O/c1-13-9(11)4-12-10(13)6-14-3-2-8(5-14)7-15/h2-5,15H,6-7H2,1H3
InChIKeyOICAEQNDAXJPNK-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.42
Rot. Bonds3

About [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol

[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66397633) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66397633
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol
SMILESCn1c(Cl)cnc1Cn1ccc(CO)c1
InChIInChI=1S/C10H12ClN3O/c1-13-9(11)4-12-10(13)6-14-3-2-8(5-14)7-15/h2-5,15H,6-7H2,1H3
InChIKeyOICAEQNDAXJPNK-UHFFFAOYSA-N
XLogP1.42
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol (CID 66397633) is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol is Cn1c(Cl)cnc1Cn1ccc(CO)c1.
What is the InChIKey of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is OICAEQNDAXJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-13-9(11)4-12-10(13)6-14-3-2-8(5-14)7-15/h2-5,15H,6-7H2,1H3.
What are the key properties of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol?
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 225.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66397633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).