N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide

C8H6ClN5O — CID 10171378

IUPACN-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ncc[nH]1
InChIInChI=1S/C8H6ClN5O/c9-8-12-3-5(4-13-8)14-7(15)6-10-1-2-11-6/h1-4H,(H,10,11)(H,14,15)
InChIKeyZMFDOARPKRPSSU-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.11
Rot. Bonds2

About N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide

N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide (PubChem CID 10171378) has the molecular formula C8H6ClN5O and a molecular weight of 223.62 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide
PubChem CID10171378
Molecular FormulaC8H6ClN5O
Molecular Weight223.62 g/mol
Exact Mass223.03
IUPAC NameN-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)c1ncc[nH]1
InChIInChI=1S/C8H6ClN5O/c9-8-12-3-5(4-13-8)14-7(15)6-10-1-2-11-6/h1-4H,(H,10,11)(H,14,15)
InChIKeyZMFDOARPKRPSSU-UHFFFAOYSA-N
XLogP1.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-2-pyridinyl)-1H-imidazole-2-carboxamide
CID 110466431
N-(4-pyridin-2-ylphenyl)-1H-imidazole-2-carboxamide
CID 110466598
N-[4-(2-hydroxyphenyl)phenyl]-1H-imidazole-2-carboxamide
CID 110466658
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
CID 110466521
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
N-(4-propan-2-ylpyrimidin-5-yl)-1H-imidazole-2-carboxamide
CID 19021680
4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,3-oxazole-2-carboxamide
CID 10193046
bis(1H-imidazol-2-yl)methanone;oxalyl dichloride
CID 19366628
4,5-dichloro-N-(2-chloropyrimidin-5-yl)-1,3-thiazole-2-carboxamide
CID 10236586
N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
CID 141129728

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide (CID 10171378) is N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide is O=C(Nc1cnc(Cl)nc1)c1ncc[nH]1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide?
The InChIKey is ZMFDOARPKRPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O/c9-8-12-3-5(4-13-8)14-7(15)6-10-1-2-11-6/h1-4H,(H,10,11)(H,14,15).
What are the key properties of N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide?
N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 10171378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).