N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide

C17H23N3O — CID 110863425

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cncn1C
InChIInChI=1S/C17H23N3O/c1-11(2)13-7-6-8-14(12(3)4)16(13)19-17(21)15-9-18-10-20(15)5/h6-12H,1-5H3,(H,19,21)
InChIKeyIWSNONWCHIOKFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 110863425) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
PubChem CID110863425
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cncn1C
InChIInChI=1S/C17H23N3O/c1-11(2)13-7-6-8-14(12(3)4)16(13)19-17(21)15-9-18-10-20(15)5/h6-12H,1-5H3,(H,19,21)
InChIKeyIWSNONWCHIOKFB-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
CID 110864315
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
CID 103510743
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
CID 110858219
N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512446
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 110863414
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
CID 167795285
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511331

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide (CID 110863425) is N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cncn1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is IWSNONWCHIOKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)13-7-6-8-14(12(3)4)16(13)19-17(21)15-9-18-10-20(15)5/h6-12H,1-5H3,(H,19,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 110863425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).