N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide

C16H21N3O — CID 164927407

IUPACN-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)n1ccnc1
InChIInChI=1S/C16H21N3O/c1-11(2)13-6-5-7-14(12(3)4)15(13)18-16(20)19-9-8-17-10-19/h5-12H,1-4H3,(H,18,20)
InChIKeyFRZPLFYFDVLHNO-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.21
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide

N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide (PubChem CID 164927407) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
PubChem CID164927407
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)n1ccnc1
InChIInChI=1S/C16H21N3O/c1-11(2)13-6-5-7-14(12(3)4)15(13)18-16(20)19-9-8-17-10-19/h5-12H,1-4H3,(H,18,20)
InChIKeyFRZPLFYFDVLHNO-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide (CID 164927407) is N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)n1ccnc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide?
The InChIKey is FRZPLFYFDVLHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)13-6-5-7-14(12(3)4)15(13)18-16(20)19-9-8-17-10-19/h5-12H,1-4H3,(H,18,20).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 4.21, 3 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]imidazole-1-carboxamide is sourced from PubChem (CID 164927407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).