N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide

C15H15N5O — CID 53348135

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1
InChIInChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21)
InChIKeyJJMCCZLIAMHGME-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.63
Rot. Bonds5

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

N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide (PubChem CID 53348135) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide
PubChem CID53348135
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1
InChIInChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21)
InChIKeyJJMCCZLIAMHGME-UHFFFAOYSA-N
XLogP1.63
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide (CID 53348135) is N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide is O=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide?
The InChIKey is JJMCCZLIAMHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21).
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide?
N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 53348135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).