2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide

C19H26N4O2 — CID 59836584

IUPAC2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide
SMILESCC(C)CNC(=O)c1[nH]c(C(C)(C)C)nc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H26N4O2/c1-11(2)10-21-17(25)15-14(22-18(23-15)19(3,4)5)12-6-8-13(9-7-12)16(20)24/h6-9,11H,10H2,1-5H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyGXQFNAKEOABGCE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.86
Rot. Bonds5

About 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide

2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide (PubChem CID 59836584) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide
PubChem CID59836584
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide
SMILESCC(C)CNC(=O)c1[nH]c(C(C)(C)C)nc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H26N4O2/c1-11(2)10-21-17(25)15-14(22-18(23-15)19(3,4)5)12-6-8-13(9-7-12)16(20)24/h6-9,11H,10H2,1-5H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyGXQFNAKEOABGCE-UHFFFAOYSA-N
XLogP2.86
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide (CID 59836584) is 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide is CC(C)CNC(=O)c1[nH]c(C(C)(C)C)nc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide?
The InChIKey is GXQFNAKEOABGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11(2)10-21-17(25)15-14(22-18(23-15)19(3,4)5)12-6-8-13(9-7-12)16(20)24/h6-9,11H,10H2,1-5H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide?
2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-carbamoylphenyl)-N-(2-methylpropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 59836584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).