1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

C15H18N4O2 — CID 118764097

IUPAC1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C15H18N4O2/c20-15(17-8-13-5-2-6-21-13)19-12-4-1-3-11(7-12)14-9-16-10-18-14/h1,3-4,7,9-10,13H,2,5-6,8H2,(H,16,18)(H2,17,19,20)
InChIKeyBKYIHSMPVNLHRE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.38
Rot. Bonds4

About 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea

1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 118764097) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID118764097
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C15H18N4O2/c20-15(17-8-13-5-2-6-21-13)19-12-4-1-3-11(7-12)14-9-16-10-18-14/h1,3-4,7,9-10,13H,2,5-6,8H2,(H,16,18)(H2,17,19,20)
InChIKeyBKYIHSMPVNLHRE-UHFFFAOYSA-N
XLogP2.38
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 74240313
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 125161615
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea (CID 118764097) is 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is BKYIHSMPVNLHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(17-8-13-5-2-6-21-13)19-12-4-1-3-11(7-12)14-9-16-10-18-14/h1,3-4,7,9-10,13H,2,5-6,8H2,(H,16,18)(H2,17,19,20).
What are the key properties of 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea?
1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 286.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 118764097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).