tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate

C15H25N3O3 — CID 114705588

IUPACtert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
SMILESCOC1CCCC1n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)17-9-11-8-16-10-18(11)12-6-5-7-13(12)20-4/h8,10,12-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyBXDDZVPBTXZWAD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate

tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate (PubChem CID 114705588) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
PubChem CID114705588
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
SMILESCOC1CCCC1n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)17-9-11-8-16-10-18(11)12-6-5-7-13(12)20-4/h8,10,12-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyBXDDZVPBTXZWAD-UHFFFAOYSA-N
XLogP2.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
CID 114707891
tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
CID 114704068
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[[3-(thian-4-ylmethyl)imidazol-4-yl]methyl]carbamate
CID 114707406
tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 104952220
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104951999
tert-butyl N-[(3-but-2-ynylimidazol-4-yl)methyl]carbamate
CID 114707490
tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103700564
tert-butyl N-[2-[3-(1,1-dioxothian-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952098

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate (CID 114705588) is tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate is COC1CCCC1n1cncc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate?
The InChIKey is BXDDZVPBTXZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)17-9-11-8-16-10-18(11)12-6-5-7-13(12)20-4/h8,10,12-13H,5-7,9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate?
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate is sourced from PubChem (CID 114705588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).