1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C18H18F2N4O2 — CID 71906546

IUPAC1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H18F2N4O2/c19-16(20)17-23-14-7-6-12(9-15(14)24-17)21-18(26)22-13(10-25)8-11-4-2-1-3-5-11/h1-7,9,13,16,25H,8,10H2,(H,23,24)(H2,21,22,26)
InChIKeyXXMGUWMRFJUYEU-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.23
Rot. Bonds6

About 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 71906546) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID71906546
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H18F2N4O2/c19-16(20)17-23-14-7-6-12(9-15(14)24-17)21-18(26)22-13(10-25)8-11-4-2-1-3-5-11/h1-7,9,13,16,25H,8,10H2,(H,23,24)(H2,21,22,26)
InChIKeyXXMGUWMRFJUYEU-UHFFFAOYSA-N
XLogP3.23
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 126789939
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 126784919
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
1-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(4-nitrophenyl)urea
CID 51969628
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]urea
CID 126787623
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 71906546) is 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is XXMGUWMRFJUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c19-16(20)17-23-14-7-6-12(9-15(14)24-17)21-18(26)22-13(10-25)8-11-4-2-1-3-5-11/h1-7,9,13,16,25H,8,10H2,(H,23,24)(H2,21,22,26).
What are the key properties of 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 360.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 71906546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).