N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide

C10H17N3O3 — CID 106305682

IUPACN-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCOCCO
InChIInChI=1S/C10H17N3O3/c1-13-8-11-7-9(13)10(15)12-3-2-5-16-6-4-14/h7-8,14H,2-6H2,1H3,(H,12,15)
InChIKeyYVZQLCSLAGAKHZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.45
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide (PubChem CID 106305682) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
PubChem CID106305682
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCOCCO
InChIInChI=1S/C10H17N3O3/c1-13-8-11-7-9(13)10(15)12-3-2-5-16-6-4-14/h7-8,14H,2-6H2,1H3,(H,12,15)
InChIKeyYVZQLCSLAGAKHZ-UHFFFAOYSA-N
XLogP-0.45
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide 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

N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
4-acetyl-N-[3-(2-hydroxyethoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 103993134
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
N-[3-(2-hydroxyethoxy)propyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 110022295
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
CID 103511904
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide (CID 106305682) is N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCCOCCO.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide?
The InChIKey is YVZQLCSLAGAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-13-8-11-7-9(13)10(15)12-3-2-5-16-6-4-14/h7-8,14H,2-6H2,1H3,(H,12,15).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 106305682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).