4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide

C9H9ClN4O — CID 60968792

IUPAC4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H9ClN4O/c1-14-5-6(10)4-7(14)8(15)13-9-11-2-3-12-9/h2-5H,1H3,(H2,11,12,13,15)
InChIKeyKIYMLDWSBBHHBE-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.65
Rot. Bonds2

About 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide

4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 60968792) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID60968792
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H9ClN4O/c1-14-5-6(10)4-7(14)8(15)13-9-11-2-3-12-9/h2-5H,1H3,(H2,11,12,13,15)
InChIKeyKIYMLDWSBBHHBE-UHFFFAOYSA-N
XLogP1.65
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63565403
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262147
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
N-(1H-imidazol-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 60966951
4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113234268
N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63564838
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide (CID 60968792) is 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KIYMLDWSBBHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-14-5-6(10)4-7(14)8(15)13-9-11-2-3-12-9/h2-5H,1H3,(H2,11,12,13,15).
What are the key properties of 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide?
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 224.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60968792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).