5-chloro-N-methyl-1H-imidazole-2-carboxamide

C5H6ClN3O — CID 166893313

IUPAC5-chloro-N-methyl-1H-imidazole-2-carboxamide
SMILESCNC(=O)c1ncc(Cl)[nH]1
InChIInChI=1S/C5H6ClN3O/c1-7-5(10)4-8-2-3(6)9-4/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyXTUNCDMMPUFOHT-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.42
Rot. Bonds1

About 5-chloro-N-methyl-1H-imidazole-2-carboxamide

5-chloro-N-methyl-1H-imidazole-2-carboxamide (PubChem CID 166893313) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 5-chloro-N-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-1H-imidazole-2-carboxamide
PubChem CID166893313
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name5-chloro-N-methyl-1H-imidazole-2-carboxamide
SMILESCNC(=O)c1ncc(Cl)[nH]1
InChIInChI=1S/C5H6ClN3O/c1-7-5(10)4-8-2-3(6)9-4/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyXTUNCDMMPUFOHT-UHFFFAOYSA-N
XLogP0.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide
CID 174360057
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CID 167229730
2-amino-5-chloro-N-methylpyridine-4-carboxamide
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2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
4-chloro-N-methylisoquinoline-1-carboxamide
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N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide
CID 122693161
2-chloro-N-methylpyrimidine-5-carboxamide;formic acid
CID 175908373
N-methyl-5,6-dioxo-1,4-dihydro-1,2,4-triazine-3-carboxamide
CID 136628558
5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171487958
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
4,5-dichloro-N-methylpyridine-3-carboxamide
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4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-1H-imidazole-2-carboxamide (CID 166893313) is 5-chloro-N-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-1H-imidazole-2-carboxamide is CNC(=O)c1ncc(Cl)[nH]1.
What is the InChIKey of 5-chloro-N-methyl-1H-imidazole-2-carboxamide?
The InChIKey is XTUNCDMMPUFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-7-5(10)4-8-2-3(6)9-4/h2H,1H3,(H,7,10)(H,8,9).
What are the key properties of 5-chloro-N-methyl-1H-imidazole-2-carboxamide?
5-chloro-N-methyl-1H-imidazole-2-carboxamide has a molecular weight of 159.58 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 166893313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).