3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea

C22H24F2N4O — CID 45076326

IUPAC3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea
SMILESO=C(NCCc1nc2ccccc2[nH]1)N(c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C22H24F2N4O/c23-15-10-11-20(17(24)14-15)28(16-6-2-1-3-7-16)22(29)25-13-12-21-26-18-8-4-5-9-19(18)27-21/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,25,29)(H,26,27)
InChIKeyWFSWTUGYZBWNKR-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.93
Rot. Bonds5

About 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea

3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea (PubChem CID 45076326) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea
PubChem CID45076326
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea
SMILESO=C(NCCc1nc2ccccc2[nH]1)N(c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C22H24F2N4O/c23-15-10-11-20(17(24)14-15)28(16-6-2-1-3-7-16)22(29)25-13-12-21-26-18-8-4-5-9-19(18)27-21/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,25,29)(H,26,27)
InChIKeyWFSWTUGYZBWNKR-UHFFFAOYSA-N
XLogP4.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 124607179
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
CID 1454662
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 48592900
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
(4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51513570
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea (CID 45076326) is 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea is O=C(NCCc1nc2ccccc2[nH]1)N(c1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea?
The InChIKey is WFSWTUGYZBWNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c23-15-10-11-20(17(24)14-15)28(16-6-2-1-3-7-16)22(29)25-13-12-21-26-18-8-4-5-9-19(18)27-21/h4-5,8-11,14,16H,1-3,6-7,12-13H2,(H,25,29)(H,26,27).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea?
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea has a molecular weight of 398.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-1-(2,4-difluorophenyl)urea is sourced from PubChem (CID 45076326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).