1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea

C15H20N4O — CID 110749218

IUPAC1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
SMILESCc1ncc(-c2ccc(NC(=O)NC(C)(C)C)cc2)[nH]1
InChIInChI=1S/C15H20N4O/c1-10-16-9-13(17-10)11-5-7-12(8-6-11)18-14(20)19-15(2,3)4/h5-9H,1-4H3,(H,16,17)(H2,18,19,20)
InChIKeyRBTQMULCDQSPAB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.31
Rot. Bonds2

About 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea

1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea (PubChem CID 110749218) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
PubChem CID110749218
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
SMILESCc1ncc(-c2ccc(NC(=O)NC(C)(C)C)cc2)[nH]1
InChIInChI=1S/C15H20N4O/c1-10-16-9-13(17-10)11-5-7-12(8-6-11)18-14(20)19-15(2,3)4/h5-9H,1-4H3,(H,16,17)(H2,18,19,20)
InChIKeyRBTQMULCDQSPAB-UHFFFAOYSA-N
XLogP3.31
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110735497
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
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2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
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CID 110735547
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-tert-butyl-3-[2-(2-methyl-1H-imidazol-5-yl)ethyl]urea
CID 110666641
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736308
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048
1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
CID 78896659
[4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazol-5-yl]phenyl]carbamic acid
CID 141211064

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea (CID 110749218) is 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea is Cc1ncc(-c2ccc(NC(=O)NC(C)(C)C)cc2)[nH]1.
What is the InChIKey of 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea?
The InChIKey is RBTQMULCDQSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-16-9-13(17-10)11-5-7-12(8-6-11)18-14(20)19-15(2,3)4/h5-9H,1-4H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea?
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea has a molecular weight of 272.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea is sourced from PubChem (CID 110749218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).