ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene

C18H29N3O — CID 145236720

IUPACethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene
SMILESC=CC.CC.CC.Cc1ncc(C(=O)Nc2ccccc2)[nH]1
InChIInChI=1S/C11H11N3O.C3H6.2C2H6/c1-8-12-7-10(13-8)11(15)14-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-7H,1H3,(H,12,13)(H,14,15);3H,1H2,2H3;2*1-2H3
InChIKeyNEWHEHCHVXPZRP-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.22
Rot. Bonds2

About ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene

ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene (PubChem CID 145236720) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene
PubChem CID145236720
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Nameethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene
SMILESC=CC.CC.CC.Cc1ncc(C(=O)Nc2ccccc2)[nH]1
InChIInChI=1S/C11H11N3O.C3H6.2C2H6/c1-8-12-7-10(13-8)11(15)14-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-7H,1H3,(H,12,13)(H,14,15);3H,1H2,2H3;2*1-2H3
InChIKeyNEWHEHCHVXPZRP-UHFFFAOYSA-N
XLogP5.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene?
The IUPAC name of ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene (CID 145236720) is ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene.
What is the SMILES notation for ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene?
The canonical SMILES for ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene is C=CC.CC.CC.Cc1ncc(C(=O)Nc2ccccc2)[nH]1.
What is the InChIKey of ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene?
The InChIKey is NEWHEHCHVXPZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C3H6.2C2H6/c1-8-12-7-10(13-8)11(15)14-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-7H,1H3,(H,12,13)(H,14,15);3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene?
ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene has a molecular weight of 303.45 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-phenyl-1H-imidazole-5-carboxamide;prop-1-ene is sourced from PubChem (CID 145236720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).