1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C14H14FN5O2 — CID 154864189

IUPAC1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)on1
InChIInChI=1S/C14H14FN5O2/c1-8-6-13(22-20-8)19-14(21)16-5-4-12-17-10-3-2-9(15)7-11(10)18-12/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,16,19,21)
InChIKeyVWQKUBYZYVQLQA-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 154864189) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID154864189
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)on1
InChIInChI=1S/C14H14FN5O2/c1-8-6-13(22-20-8)19-14(21)16-5-4-12-17-10-3-2-9(15)7-11(10)18-12/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,16,19,21)
InChIKeyVWQKUBYZYVQLQA-UHFFFAOYSA-N
XLogP2.36
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118781489
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 84561103
2-(4-bromo-3-methylphenoxy)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018394
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
CID 131927508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 154864189) is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NCCc2nc3ccc(F)cc3[nH]2)on1.
What is the InChIKey of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is VWQKUBYZYVQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-8-6-13(22-20-8)19-14(21)16-5-4-12-17-10-3-2-9(15)7-11(10)18-12/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H2,16,19,21).
What are the key properties of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 303.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 154864189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).