1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea

C15H26N4O — CID 91911719

IUPAC1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea
SMILESCc1cnc(CCNC(=O)NC(C)(C)C)n1CC1CC1
InChIInChI=1S/C15H26N4O/c1-11-9-17-13(19(11)10-12-5-6-12)7-8-16-14(20)18-15(2,3)4/h9,12H,5-8,10H2,1-4H3,(H2,16,18,20)
InChIKeyLMISPFPEHUSWPA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.24
Rot. Bonds5

About 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea

1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea (PubChem CID 91911719) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea
PubChem CID91911719
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea
SMILESCc1cnc(CCNC(=O)NC(C)(C)C)n1CC1CC1
InChIInChI=1S/C15H26N4O/c1-11-9-17-13(19(11)10-12-5-6-12)7-8-16-14(20)18-15(2,3)4/h9,12H,5-8,10H2,1-4H3,(H2,16,18,20)
InChIKeyLMISPFPEHUSWPA-UHFFFAOYSA-N
XLogP2.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea (CID 91911719) is 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea is Cc1cnc(CCNC(=O)NC(C)(C)C)n1CC1CC1.
What is the InChIKey of 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea?
The InChIKey is LMISPFPEHUSWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-9-17-13(19(11)10-12-5-6-12)7-8-16-14(20)18-15(2,3)4/h9,12H,5-8,10H2,1-4H3,(H2,16,18,20).
What are the key properties of 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea?
1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethyl]urea is sourced from PubChem (CID 91911719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).