1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea

C20H23FN4O2 — CID 72904571

IUPAC1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2nc3ccccc3n2CC)c(F)c1
InChIInChI=1S/C20H23FN4O2/c1-3-25-18-8-6-5-7-17(18)23-19(25)11-12-22-20(26)24-16-10-9-14(27-4-2)13-15(16)21/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,26)
InChIKeySBEFSZHVBMDGDA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea

1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea (PubChem CID 72904571) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea
PubChem CID72904571
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2nc3ccccc3n2CC)c(F)c1
InChIInChI=1S/C20H23FN4O2/c1-3-25-18-8-6-5-7-17(18)23-19(25)11-12-22-20(26)24-16-10-9-14(27-4-2)13-15(16)21/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,26)
InChIKeySBEFSZHVBMDGDA-UHFFFAOYSA-N
XLogP3.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 74247125
1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762157
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-fluoro-4-nitroaniline
CID 133277357
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea (CID 72904571) is 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea is CCOc1ccc(NC(=O)NCCc2nc3ccccc3n2CC)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea?
The InChIKey is SBEFSZHVBMDGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-3-25-18-8-6-5-7-17(18)23-19(25)11-12-22-20(26)24-16-10-9-14(27-4-2)13-15(16)21/h5-10,13H,3-4,11-12H2,1-2H3,(H2,22,24,26).
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea?
1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea has a molecular weight of 370.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)-3-[2-(1-ethylbenzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 72904571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).