N-(3-methoxypropyl)-1H-imidazole-5-carboxamide

C8H13N3O2 — CID 110684258

IUPACN-(3-methoxypropyl)-1H-imidazole-5-carboxamide
SMILESCOCCCNC(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-10-8(12)7-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyDCMWXUJZKWJYEQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.18
Rot. Bonds5

About N-(3-methoxypropyl)-1H-imidazole-5-carboxamide

N-(3-methoxypropyl)-1H-imidazole-5-carboxamide (PubChem CID 110684258) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1H-imidazole-5-carboxamide
PubChem CID110684258
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(3-methoxypropyl)-1H-imidazole-5-carboxamide
SMILESCOCCCNC(=O)c1cnc[nH]1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-10-8(12)7-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyDCMWXUJZKWJYEQ-UHFFFAOYSA-N
XLogP0.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-5-yl)-4-methoxybutan-1-one
CID 89326565
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
5-methoxy-N-(3-methoxypropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 71692302
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
1-amino-2-(1H-imidazol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 104887169
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 19479455
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
5-(3,5-dimethylphenyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 42845893
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1H-imidazole-5-carboxamide (CID 110684258) is N-(3-methoxypropyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1H-imidazole-5-carboxamide is COCCCNC(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-methoxypropyl)-1H-imidazole-5-carboxamide?
The InChIKey is DCMWXUJZKWJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-4-2-3-10-8(12)7-5-9-6-11-7/h5-6H,2-4H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-(3-methoxypropyl)-1H-imidazole-5-carboxamide?
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).