1-(3-hydroxypropyl)imidazole-2-carboxamide

C7H11N3O2 — CID 173085384

IUPAC1-(3-hydroxypropyl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1CCCO
InChIInChI=1S/C7H11N3O2/c8-6(12)7-9-2-4-10(7)3-1-5-11/h2,4,11H,1,3,5H2,(H2,8,12)
InChIKeyYTSFZXSWMRCNMX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.64
Rot. Bonds4

About 1-(3-hydroxypropyl)imidazole-2-carboxamide

1-(3-hydroxypropyl)imidazole-2-carboxamide (PubChem CID 173085384) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)imidazole-2-carboxamide
PubChem CID173085384
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(3-hydroxypropyl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1CCCO
InChIInChI=1S/C7H11N3O2/c8-6(12)7-9-2-4-10(7)3-1-5-11/h2,4,11H,1,3,5H2,(H2,8,12)
InChIKeyYTSFZXSWMRCNMX-UHFFFAOYSA-N
XLogP-0.64
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-prop-2-enylimidazole-2-carboxamide
CID 70066654
1-[1-(2-hydroxyethyl)imidazol-2-yl]ethanone
CID 91602067
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
1-[3-(1-methoxybutan-2-ylamino)propyl]imidazole-2-carboxamide
CID 173085160
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]imidazole-2-carboxamide
CID 173085094
1-(5-hydroxypentyl)imidazole-2-carbaldehyde
CID 62229411
(3S,4R)-3-hydroxy-5-[1-(3-hydroxypropyl)imidazol-2-yl]-4-methylpentanamide
CID 122601122
1-(2-ethylhexyl)imidazole-2-carboxamide
CID 70128665
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
methyl 1-butylimidazole-2-carboxylate
CID 137346516
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
1-[3-(1-methyltetrazol-5-yl)propyl]imidazole-2-carboxylic acid
CID 151938082

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)imidazole-2-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)imidazole-2-carboxamide (CID 173085384) is 1-(3-hydroxypropyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)imidazole-2-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)imidazole-2-carboxamide is NC(=O)c1nccn1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)imidazole-2-carboxamide?
The InChIKey is YTSFZXSWMRCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6(12)7-9-2-4-10(7)3-1-5-11/h2,4,11H,1,3,5H2,(H2,8,12).
What are the key properties of 1-(3-hydroxypropyl)imidazole-2-carboxamide?
1-(3-hydroxypropyl)imidazole-2-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)imidazole-2-carboxamide is sourced from PubChem (CID 173085384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).