5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide

C14H12ClN3O2 — CID 174360057

IUPAC5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide
SMILESO=C(NC(=O)C1(c2ccccc2)CC1)c1ncc(Cl)[nH]1
InChIInChI=1S/C14H12ClN3O2/c15-10-8-16-11(17-10)12(19)18-13(20)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)(H,18,19,20)
InChIKeyGFUPHSPNJZOHPI-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide

5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide (PubChem CID 174360057) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide
PubChem CID174360057
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide
SMILESO=C(NC(=O)C1(c2ccccc2)CC1)c1ncc(Cl)[nH]1
InChIInChI=1S/C14H12ClN3O2/c15-10-8-16-11(17-10)12(19)18-13(20)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)(H,18,19,20)
InChIKeyGFUPHSPNJZOHPI-UHFFFAOYSA-N
XLogP2.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide (CID 174360057) is 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide is O=C(NC(=O)C1(c2ccccc2)CC1)c1ncc(Cl)[nH]1.
What is the InChIKey of 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide?
The InChIKey is GFUPHSPNJZOHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-8-16-11(17-10)12(19)18-13(20)14(6-7-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17)(H,18,19,20).
What are the key properties of 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide?
5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-phenylcyclopropanecarbonyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 174360057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).