4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide

C10H7BrClN3O — CID 16658041

IUPAC4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)
InChIKeyIRCCCXMUSJGSMV-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.59
Rot. Bonds2

About 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide

4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide (PubChem CID 16658041) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide
PubChem CID16658041
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15)
InChIKeyIRCCCXMUSJGSMV-UHFFFAOYSA-N
XLogP2.59
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide (CID 16658041) is 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is IRCCCXMUSJGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-6-3-5(1-2-7(6)12)8-9(10(13)16)15-4-14-8/h1-4H,(H2,13,16)(H,14,15).
What are the key properties of 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide?
4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 300.54 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 16658041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).