4,5-dihydroimidazol-1-ylmethanol

C4H8N2O — CID 19022490

IUPAC4,5-dihydroimidazol-1-ylmethanol
SMILESOCN1C=NCC1
InChIInChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h3,7H,1-2,4H2
InChIKeyBNQRCCVMDBBROQ-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.72
Rot. Bonds1

About 4,5-dihydroimidazol-1-ylmethanol

4,5-dihydroimidazol-1-ylmethanol (PubChem CID 19022490) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-ylmethanol.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-ylmethanol
PubChem CID19022490
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name4,5-dihydroimidazol-1-ylmethanol
SMILESOCN1C=NCC1
InChIInChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h3,7H,1-2,4H2
InChIKeyBNQRCCVMDBBROQ-UHFFFAOYSA-N
XLogP-0.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dihydroimidazol-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cocoyl hydroxyethyl imidazoline
CID 155133
1-Hydroxyethyl-2-imidazoline
CID 18008153
1,3-Dimethyl-4,5-dihydroimidazol-1-ium hydroxide
CID 20238537
[3-(Hydroxymethyl)-4,5-dihydroimidazol-3-ium-1-yl]methanol
CID 57126320
(2-Amino-4,5-dihydroimidazol-1-yl)methanol
CID 57147354
4,5-Dihydroimidazol-1-ylmethanediol
CID 57152523
1,1-Dimethyl-4,5-dihydroimidazol-1-ium hydroxide
CID 70468836
1-(Methoxymethyl)-4,5-dihydroimidazole
CID 90901850
1-Methyl-4,5-dihydroimidazol-4-ol
CID 154388064
(1-Methyl-4,5-dihydroimidazol-1-ium-1-yl)methanol
CID 154500867
N,N'-diethyl-N-(hydroxymethyl)methanimidamide
CID 155066563
1-(4,5-Dihydroimidazol-1-yl)ethanol;hydrochloride
CID 173002240

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-ylmethanol?
The IUPAC name of 4,5-dihydroimidazol-1-ylmethanol (CID 19022490) is 4,5-dihydroimidazol-1-ylmethanol.
What is the SMILES notation for 4,5-dihydroimidazol-1-ylmethanol?
The canonical SMILES for 4,5-dihydroimidazol-1-ylmethanol is OCN1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-ylmethanol?
The InChIKey is BNQRCCVMDBBROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-4-6-2-1-5-3-6/h3,7H,1-2,4H2.
What are the key properties of 4,5-dihydroimidazol-1-ylmethanol?
4,5-dihydroimidazol-1-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-ylmethanol is sourced from PubChem (CID 19022490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).