1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

C20H26F2N4O2 — CID 42819969

IUPAC1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1nccn1Cc1ccc(F)c(F)c1)CC1CCCO1
InChIInChI=1S/C20H26F2N4O2/c1-14(2)24-20(27)26(12-16-4-3-9-28-16)13-19-23-7-8-25(19)11-15-5-6-17(21)18(22)10-15/h5-8,10,14,16H,3-4,9,11-13H2,1-2H3,(H,24,27)
InChIKeySBRZZQBDXFBNRT-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.31
Rot. Bonds7

About 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea

1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (PubChem CID 42819969) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
PubChem CID42819969
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(Cc1nccn1Cc1ccc(F)c(F)c1)CC1CCCO1
InChIInChI=1S/C20H26F2N4O2/c1-14(2)24-20(27)26(12-16-4-3-9-28-16)13-19-23-7-8-25(19)11-15-5-6-17(21)18(22)10-15/h5-8,10,14,16H,3-4,9,11-13H2,1-2H3,(H,24,27)
InChIKeySBRZZQBDXFBNRT-UHFFFAOYSA-N
XLogP3.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 42819326
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 42819953
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819324
1-[[5-amino-2-(dimethylamino)phenyl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 24712063
1-[[5-(2-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 93136225
1-[[5-(2-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 71958630
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 93136212
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 93136392

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea (CID 42819969) is 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)N(Cc1nccn1Cc1ccc(F)c(F)c1)CC1CCCO1.
What is the InChIKey of 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
The InChIKey is SBRZZQBDXFBNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-14(2)24-20(27)26(12-16-4-3-9-28-16)13-19-23-7-8-25(19)11-15-5-6-17(21)18(22)10-15/h5-8,10,14,16H,3-4,9,11-13H2,1-2H3,(H,24,27).
What are the key properties of 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea?
1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea has a molecular weight of 392.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 42819969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).