N-(1H-imidazol-5-yl)formamide;hydrochloride

C4H6ClN3O — CID 174934160

IUPACN-(1H-imidazol-5-yl)formamide;hydrochloride
SMILESCl.O=CNc1cnc[nH]1
InChIInChI=1S/C4H5N3O.ClH/c8-3-7-4-1-5-2-6-4;/h1-3H,(H,5,6)(H,7,8);1H
InChIKeyOESXSFUTJQTKKQ-UHFFFAOYSA-N
MW147.57 g/mol
LogP0.40
Rot. Bonds2

About N-(1H-imidazol-5-yl)formamide;hydrochloride

N-(1H-imidazol-5-yl)formamide;hydrochloride (PubChem CID 174934160) has the molecular formula C4H6ClN3O and a molecular weight of 147.57 g/mol. Its IUPAC name is N-(1H-imidazol-5-yl)formamide;hydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-5-yl)formamide;hydrochloride
PubChem CID174934160
Molecular FormulaC4H6ClN3O
Molecular Weight147.57 g/mol
Exact Mass147.02
IUPAC NameN-(1H-imidazol-5-yl)formamide;hydrochloride
SMILESCl.O=CNc1cnc[nH]1
InChIInChI=1S/C4H5N3O.ClH/c8-3-7-4-1-5-2-6-4;/h1-3H,(H,5,6)(H,7,8);1H
InChIKeyOESXSFUTJQTKKQ-UHFFFAOYSA-N
XLogP0.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-5-yl)formamide;hydrochloride 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-propan-2-yl-1H-imidazol-5-amine
CID 57320471
2-(1H-imidazol-5-yl)acetaldehyde;hydrochloride
CID 86735846
2-(1H-imidazol-5-ylamino)propanenitrile
CID 141386432
N-(1H-imidazol-5-yl)pentanamide
CID 130719648
N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
methyl 2-(1H-imidazol-5-ylamino)acetate
CID 45120743
5-chloro-N-(1H-imidazol-5-yl)pyrimidin-2-amine
CID 131203690
5-[(1H-imidazol-5-ylamino)methyl]pyrimidin-2-amine
CID 130693052
N-(2-phenylethyl)-1H-imidazol-5-amine
CID 23213470
N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide
CID 126999527
N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine
CID 130668774
ethane;N-(1H-pyrazol-5-yl)formamide
CID 145301120

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-yl)formamide;hydrochloride?
The IUPAC name of N-(1H-imidazol-5-yl)formamide;hydrochloride (CID 174934160) is N-(1H-imidazol-5-yl)formamide;hydrochloride.
What is the SMILES notation for N-(1H-imidazol-5-yl)formamide;hydrochloride?
The canonical SMILES for N-(1H-imidazol-5-yl)formamide;hydrochloride is Cl.O=CNc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-yl)formamide;hydrochloride?
The InChIKey is OESXSFUTJQTKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.ClH/c8-3-7-4-1-5-2-6-4;/h1-3H,(H,5,6)(H,7,8);1H.
What are the key properties of N-(1H-imidazol-5-yl)formamide;hydrochloride?
N-(1H-imidazol-5-yl)formamide;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-yl)formamide;hydrochloride is sourced from PubChem (CID 174934160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).