N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide

C7H11N3O2 — CID 83031870

IUPACN-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cnc[nH]1
InChIInChI=1S/C7H11N3O2/c1-5(11)2-9-7(12)6-3-8-4-10-6/h3-5,11H,2H2,1H3,(H,8,10)(H,9,12)/t5-/m1/s1
InChIKeyJBMZRQRQIKLACN-RXMQYKEDSA-N
MW169.18 g/mol
LogP-0.48
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide

N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide (PubChem CID 83031870) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
PubChem CID83031870
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cnc[nH]1
InChIInChI=1S/C7H11N3O2/c1-5(11)2-9-7(12)6-3-8-4-10-6/h3-5,11H,2H2,1H3,(H,8,10)(H,9,12)/t5-/m1/s1
InChIKeyJBMZRQRQIKLACN-RXMQYKEDSA-N
XLogP-0.48
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
CID 115703669
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467419
N-(3-methoxypropyl)-1H-imidazole-5-carboxamide
CID 110684258
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
CID 115629259
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
CID 115310453
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide (CID 83031870) is N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide is C[C@@H](O)CNC(=O)c1cnc[nH]1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The InChIKey is JBMZRQRQIKLACN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)2-9-7(12)6-3-8-4-10-6/h3-5,11H,2H2,1H3,(H,8,10)(H,9,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 83031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).