1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea

C14H16F2N4O2 — CID 94172086

IUPAC1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)NC[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N4O2/c15-10-1-2-11(12(16)7-10)13(21)8-19-14(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,13,21H,4,6,8H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyBZHMFJQMJVLJPA-ZDUSSCGKSA-N
MW310.30 g/mol
LogP1.19
Rot. Bonds6

About 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea

1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea (PubChem CID 94172086) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
PubChem CID94172086
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)NC[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N4O2/c15-10-1-2-11(12(16)7-10)13(21)8-19-14(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,13,21H,4,6,8H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyBZHMFJQMJVLJPA-ZDUSSCGKSA-N
XLogP1.19
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95133088
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
N,N'-bis[2-(2,4-difluorophenyl)-2-hydroxyethyl]pentanediamide
CID 166196892
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111970018

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea (CID 94172086) is 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea is O=C(NCCn1ccnc1)NC[C@H](O)c1ccc(F)cc1F.
What is the InChIKey of 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is BZHMFJQMJVLJPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c15-10-1-2-11(12(16)7-10)13(21)8-19-14(22)18-4-6-20-5-3-17-9-20/h1-3,5,7,9,13,21H,4,6,8H2,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea?
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 310.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 94172086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).