1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea

C11H18N4O2 — CID 97084850

IUPAC1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESO=C(NCCn1ccnc1)NC[C@@H]1CCOC1
InChIInChI=1S/C11H18N4O2/c16-11(14-7-10-1-6-17-8-10)13-3-5-15-4-2-12-9-15/h2,4,9-10H,1,3,5-8H2,(H2,13,14,16)/t10-/m0/s1
InChIKeySZRAHPNZGWRFCH-JTQLQIEISA-N
MW238.29 g/mol
LogP0.22
Rot. Bonds5

About 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea

1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 97084850) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID97084850
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESO=C(NCCn1ccnc1)NC[C@@H]1CCOC1
InChIInChI=1S/C11H18N4O2/c16-11(14-7-10-1-6-17-8-10)13-3-5-15-4-2-12-9-15/h2,4,9-10H,1,3,5-8H2,(H2,13,14,16)/t10-/m0/s1
InChIKeySZRAHPNZGWRFCH-JTQLQIEISA-N
XLogP0.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
CID 47229107
N-(3-imidazol-1-ylpropyl)-2-(oxolan-3-yl)acetamide
CID 119068889
1-(2-imidazol-1-ylethyl)-2-methyl-3-(oxan-4-ylmethyl)guanidine;hydroiodide
CID 119151460
1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-3-ylmethyl)urea
CID 71990464
1-[2-(oxan-3-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497422
4-[(2-imidazol-1-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440421
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
CID 51083645
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
1-(3-imidazol-1-ylpropyl)-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 97084844
2-imidazol-1-ylethylurea
CID 61061185

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 97084850) is 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea is O=C(NCCn1ccnc1)NC[C@@H]1CCOC1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is SZRAHPNZGWRFCH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11(14-7-10-1-6-17-8-10)13-3-5-15-4-2-12-9-15/h2,4,9-10H,1,3,5-8H2,(H2,13,14,16)/t10-/m0/s1.
What are the key properties of 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 238.29 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 97084850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).