tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate

C22H33N5O3 — CID 166454390

IUPACtert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC1Nc2cccc(N3CCN(C4CC4)C3=O)c2N1
InChIInChI=1S/C22H33N5O3/c1-22(2,3)30-20(28)23-12-5-4-9-18-24-16-7-6-8-17(19(16)25-18)27-14-13-26(21(27)29)15-10-11-15/h6-8,15,18,24-25H,4-5,9-14H2,1-3H3,(H,23,28)
InChIKeyFPPFGZBNERQBPW-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.95
Rot. Bonds7

About tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate

tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate (PubChem CID 166454390) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate
PubChem CID166454390
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Nametert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC1Nc2cccc(N3CCN(C4CC4)C3=O)c2N1
InChIInChI=1S/C22H33N5O3/c1-22(2,3)30-20(28)23-12-5-4-9-18-24-16-7-6-8-17(19(16)25-18)27-14-13-26(21(27)29)15-10-11-15/h6-8,15,18,24-25H,4-5,9-14H2,1-3H3,(H,23,28)
InChIKeyFPPFGZBNERQBPW-UHFFFAOYSA-N
XLogP3.95
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[7-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]benzimidazol-2-yl]carbamoyl]benzoate
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tert-butyl N-[4-(4,5-diiodo-2,3-dihydro-1H-imidazol-2-yl)butyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate (CID 166454390) is tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate is CC(C)(C)OC(=O)NCCCCC1Nc2cccc(N3CCN(C4CC4)C3=O)c2N1.
What is the InChIKey of tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate?
The InChIKey is FPPFGZBNERQBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-22(2,3)30-20(28)23-12-5-4-9-18-24-16-7-6-8-17(19(16)25-18)27-14-13-26(21(27)29)15-10-11-15/h6-8,15,18,24-25H,4-5,9-14H2,1-3H3,(H,23,28).
What are the key properties of tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate?
tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate has a molecular weight of 415.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]butyl]carbamate is sourced from PubChem (CID 166454390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).