N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide

C8H13N3O2 — CID 110467419

IUPACN-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)3-10-8(13)7-4-9-6(2)11-7/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13)
InChIKeyGIHVKHNDFUFTCM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.17
Rot. Bonds3

About N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide

N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 110467419) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
PubChem CID110467419
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)3-10-8(13)7-4-9-6(2)11-7/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13)
InChIKeyGIHVKHNDFUFTCM-UHFFFAOYSA-N
XLogP-0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2R)-4-methyl-1-[(2-methyl-1H-imidazole-5-carbonyl)amino]pentan-2-yl]carbamate
CID 97029173
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 110467498
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 110467553
2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
CID 139628196
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide (CID 110467419) is N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCC(C)O)[nH]1.
What is the InChIKey of N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is GIHVKHNDFUFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(12)3-10-8(13)7-4-9-6(2)11-7/h4-5,12H,3H2,1-2H3,(H,9,11)(H,10,13).
What are the key properties of N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide?
N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).