N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide

C13H11N5O — CID 81257478

IUPACN-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)n1ccnc1
InChIInChI=1S/C13H11N5O/c19-13(18-8-6-15-10-18)16-11-3-1-2-4-12(11)17-7-5-14-9-17/h1-10H,(H,16,19)
InChIKeyFHMROOVPDSFVDF-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.15
Rot. Bonds2

About N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide

N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide (PubChem CID 81257478) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
PubChem CID81257478
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)n1ccnc1
InChIInChI=1S/C13H11N5O/c19-13(18-8-6-15-10-18)16-11-3-1-2-4-12(11)17-7-5-14-9-17/h1-10H,(H,16,19)
InChIKeyFHMROOVPDSFVDF-UHFFFAOYSA-N
XLogP2.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
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CID 12911544
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
CID 81257028
N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 60967253
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-(2-imidazol-1-ylphenyl)decanamide
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N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide (CID 81257478) is N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide is O=C(Nc1ccccc1-n1ccnc1)n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide?
The InChIKey is FHMROOVPDSFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(18-8-6-15-10-18)16-11-3-1-2-4-12(11)17-7-5-14-9-17/h1-10H,(H,16,19).
What are the key properties of N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide?
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).