N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide

C15H17N3O — CID 100656473

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-2-11-8-13(11)17-15(19)14-9-16-10-18(14)12-6-4-3-5-7-12/h3-7,9-11,13H,2,8H2,1H3,(H,17,19)/t11-,13-/m1/s1
InChIKeyOMIKUPJRGCXRPF-DGCLKSJQSA-N
MW255.32 g/mol
LogP2.40
Rot. Bonds4

About N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide

N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide (PubChem CID 100656473) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
PubChem CID100656473
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-2-11-8-13(11)17-15(19)14-9-16-10-18(14)12-6-4-3-5-7-12/h3-7,9-11,13H,2,8H2,1H3,(H,17,19)/t11-,13-/m1/s1
InChIKeyOMIKUPJRGCXRPF-DGCLKSJQSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide (CID 100656473) is N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide is CC[C@@H]1C[C@H]1NC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is OMIKUPJRGCXRPF-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-11-8-13(11)17-15(19)14-9-16-10-18(14)12-6-4-3-5-7-12/h3-7,9-11,13H,2,8H2,1H3,(H,17,19)/t11-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide?
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 100656473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).