1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

C14H20N4O2 — CID 110776173

IUPAC1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)18-12(19)15-7-6-9-4-5-10-11(8-9)17-13(20)16-10/h4-5,8H,6-7H2,1-3H3,(H2,15,18,19)(H2,16,17,20)
InChIKeyVKQIPKQIHUZHFD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds3

About 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (PubChem CID 110776173) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
PubChem CID110776173
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESCC(C)(C)NC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)18-12(19)15-7-6-9-4-5-10-11(8-9)17-13(20)16-10/h4-5,8H,6-7H2,1-3H3,(H2,15,18,19)(H2,16,17,20)
InChIKeyVKQIPKQIHUZHFD-UHFFFAOYSA-N
XLogP1.50
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (CID 110776173) is 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is CC(C)(C)NC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The InChIKey is VKQIPKQIHUZHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)18-12(19)15-7-6-9-4-5-10-11(8-9)17-13(20)16-10/h4-5,8H,6-7H2,1-3H3,(H2,15,18,19)(H2,16,17,20).
What are the key properties of 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea has a molecular weight of 276.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is sourced from PubChem (CID 110776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).